N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol

C88H132N16O2 — CID 159026436

IUPACN,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CN(C)CCn1cc(-c2ccccc2)c(-c2ccncc2)n1.CN(C)CCn1ncc(-c2ccccc2)c1-c1ccncc1.CNC.CNC.OCCn1cc(-c2ccccc2)c(-c2ccncc2)n1.OCCn1ncc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/2C18H20N4.2C16H15N3O.2C2H7N.8C2H6/c1-21(2)12-13-22-14-17(15-6-4-3-5-7-15)18(20-22)16-8-10-19-11-9-16;1-21(2)12-13-22-18(16-8-10-19-11-9-16)17(14-20-22)15-6-4-3-5-7-15;20-11-10-19-12-15(13-4-2-1-3-5-13)16(18-19)14-6-8-17-9-7-14;20-11-10-19-16(14-6-8-17-9-7-14)15(12-18-19)13-4-2-1-3-5-13;2*1-3-2;8*1-2/h2*3-11,14H,12-13H2,1-2H3;2*1-9,12,20H,10-11H2;2*3H,1-2H3;8*1-2H3
InChIKeyJUIJLRPWNXKJQY-UHFFFAOYSA-N
MW1446.13 g/mol
LogP19.44
Rot. Bonds18

About N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol

N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol (PubChem CID 159026436) has the molecular formula C88H132N16O2 and a molecular weight of 1446.13 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol
PubChem CID159026436
Molecular FormulaC88H132N16O2
Molecular Weight1446.13 g/mol
Exact Mass1445.07
IUPAC NameN,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CN(C)CCn1cc(-c2ccccc2)c(-c2ccncc2)n1.CN(C)CCn1ncc(-c2ccccc2)c1-c1ccncc1.CNC.CNC.OCCn1cc(-c2ccccc2)c(-c2ccncc2)n1.OCCn1ncc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/2C18H20N4.2C16H15N3O.2C2H7N.8C2H6/c1-21(2)12-13-22-14-17(15-6-4-3-5-7-15)18(20-22)16-8-10-19-11-9-16;1-21(2)12-13-22-18(16-8-10-19-11-9-16)17(14-20-22)15-6-4-3-5-7-15;20-11-10-19-12-15(13-4-2-1-3-5-13)16(18-19)14-6-8-17-9-7-14;20-11-10-19-16(14-6-8-17-9-7-14)15(12-18-19)13-4-2-1-3-5-13;2*1-3-2;8*1-2/h2*3-11,14H,12-13H2,1-2H3;2*1-9,12,20H,10-11H2;2*3H,1-2H3;8*1-2H3
InChIKeyJUIJLRPWNXKJQY-UHFFFAOYSA-N
XLogP19.44
TPSA193.84 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.13
LogP ≤ 519.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol with MolForge

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Related Compounds

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CID 44659762
2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;6-fluoro-3-(1-piperidin-4-ylpyrazol-4-yl)-1H-indole;3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-indole
CID 118064603
3-[4-[5-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(2,5-difluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;2-[4-[5-[2-(2,5-difluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridine;3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]ethanol
CID 160108679
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)morpholine
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CID 139197165
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CID 69602907
bis(N-[3-(diethylamino)propyl]-2-(4-phenyl-5-pyridin-3-ylpyrazol-1-yl)acetamide);hydrate
CID 70361448
5,10,15,20-tetrakis[4-(3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-21,23-dihydroporphyrin
CID 141519252

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol?
The IUPAC name of N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol (CID 159026436) is N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol?
The canonical SMILES for N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol is CC.CC.CC.CC.CC.CC.CC.CC.CN(C)CCn1cc(-c2ccccc2)c(-c2ccncc2)n1.CN(C)CCn1ncc(-c2ccccc2)c1-c1ccncc1.CNC.CNC.OCCn1cc(-c2ccccc2)c(-c2ccncc2)n1.OCCn1ncc(-c2ccccc2)c1-c1ccncc1.
What is the InChIKey of N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol?
The InChIKey is JUIJLRPWNXKJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20N4.2C16H15N3O.2C2H7N.8C2H6/c1-21(2)12-13-22-14-17(15-6-4-3-5-7-15)18(20-22)16-8-10-19-11-9-16;1-21(2)12-13-22-18(16-8-10-19-11-9-16)17(14-20-22)15-6-4-3-5-7-15;20-11-10-19-12-15(13-4-2-1-3-5-13)16(18-19)14-6-8-17-9-7-14;20-11-10-19-16(14-6-8-17-9-7-14)15(12-18-19)13-4-2-1-3-5-13;2*1-3-2;8*1-2/h2*3-11,14H,12-13H2,1-2H3;2*1-9,12,20H,10-11H2;2*3H,1-2H3;8*1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol?
N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol has a molecular weight of 1446.13 g/mol, XLogP of 19.44, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;bis(N-methylmethanamine);2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol;2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 159026436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).