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

C67H101N11O — CID 158817328

IUPACN,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESCC.CC.CC.CC.CC.CC.CC.CCCn1cc(-c2ccncc2)c(-c2ccccc2)n1.CN(C)CCn1cc(-c2ccncc2)c(-c2ccccc2)n1.CNC.OCCn1cc(-c2ccncc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H20N4.C17H17N3.C16H15N3O.C2H7N.7C2H6/c1-21(2)12-13-22-14-17(15-8-10-19-11-9-15)18(20-22)16-6-4-3-5-7-16;1-2-12-20-13-16(14-8-10-18-11-9-14)17(19-20)15-6-4-3-5-7-15;20-11-10-19-12-15(13-6-8-17-9-7-13)16(18-19)14-4-2-1-3-5-14;1-3-2;7*1-2/h3-11,14H,12-13H2,1-2H3;3-11,13H,2,12H2,1H3;1-9,12,20H,10-11H2;3H,1-2H3;7*1-2H3
InChIKeyIVKUTDKQKMQAQO-UHFFFAOYSA-N
MW1076.62 g/mol
LogP16.82
Rot. Bonds13

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

N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol (PubChem CID 158817328) has the molecular formula C67H101N11O and a molecular weight of 1076.62 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol
PubChem CID158817328
Molecular FormulaC67H101N11O
Molecular Weight1076.62 g/mol
Exact Mass1075.82
IUPAC NameN,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESCC.CC.CC.CC.CC.CC.CC.CCCn1cc(-c2ccncc2)c(-c2ccccc2)n1.CN(C)CCn1cc(-c2ccncc2)c(-c2ccccc2)n1.CNC.OCCn1cc(-c2ccncc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H20N4.C17H17N3.C16H15N3O.C2H7N.7C2H6/c1-21(2)12-13-22-14-17(15-8-10-19-11-9-15)18(20-22)16-6-4-3-5-7-16;1-2-12-20-13-16(14-8-10-18-11-9-14)17(19-20)15-6-4-3-5-7-15;20-11-10-19-12-15(13-6-8-17-9-7-13)16(18-19)14-4-2-1-3-5-14;1-3-2;7*1-2/h3-11,14H,12-13H2,1-2H3;3-11,13H,2,12H2,1H3;1-9,12,20H,10-11H2;3H,1-2H3;7*1-2H3
InChIKeyIVKUTDKQKMQAQO-UHFFFAOYSA-N
XLogP16.82
TPSA127.63 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.62
LogP ≤ 516.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine
CID 121347782
2-[3-(4-Fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 21036717
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
(3R)-3-fluoro-2-methyl-4-[4-[6-[3-[(methylideneamino)methyl]pyrrolo[1,2-b]pyridazin-7-yl]-4-[(4-morpholin-4-yl-1-bicyclo[2.2.2]octanyl)amino]-3-pyridinyl]triazol-1-yl]butan-2-ol
CID 146367259
1-[3-[6-(4-Fluorophenyl)-4-[5-[4-[6-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-prop-2-enoylpyrrolidin-2-yl]-1-methylpyrazol-3-yl]-3-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 168965585
1-[4-[4-[5-[1-Acetyl-4-[6-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrrolidin-2-yl]-1-methylpyrazol-3-yl]-6-(4-fluorophenyl)-3-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 170004857
2-[1-[[2,4,6-Trimethyl-3,5-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine
CID 5241984
2-[1-[[2,4,6-Triethyl-3,5-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine
CID 101390695
Cobalt(2+);methanol;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diisothiocyanate
CID 139197170
2-Phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine
CID 139198225
(E)-3-({1-[(2-pyridyl)methyl]-1H-pyrazol-3-yl}methylidene)-1-(triphenylmethyl)piperidin-4-ol
CID 23138958
Bis(3-methylpyrazol-1-ide);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum(2+)
CID 58711216

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol?
The IUPAC name of N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol (CID 158817328) is N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol?
The canonical SMILES for N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol is CC.CC.CC.CC.CC.CC.CC.CCCn1cc(-c2ccncc2)c(-c2ccccc2)n1.CN(C)CCn1cc(-c2ccncc2)c(-c2ccccc2)n1.CNC.OCCn1cc(-c2ccncc2)c(-c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol?
The InChIKey is IVKUTDKQKMQAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C17H17N3.C16H15N3O.C2H7N.7C2H6/c1-21(2)12-13-22-14-17(15-8-10-19-11-9-15)18(20-22)16-6-4-3-5-7-16;1-2-12-20-13-16(14-8-10-18-11-9-14)17(19-20)15-6-4-3-5-7-15;20-11-10-19-12-15(13-6-8-17-9-7-13)16(18-19)14-4-2-1-3-5-14;1-3-2;7*1-2/h3-11,14H,12-13H2,1-2H3;3-11,13H,2,12H2,1H3;1-9,12,20H,10-11H2;3H,1-2H3;7*1-2H3.
What are the key properties of N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol?
N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol has a molecular weight of 1076.62 g/mol, XLogP of 16.82, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane;N-methylmethanamine;4-(3-phenyl-1-propylpyrazol-4-yl)pyridine;2-(3-phenyl-4-pyridin-4-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 158817328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).