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

C22H32N4 — CID 91106289

IUPACN,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane
SMILESCC.CC.CN(C)CCn1ncc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C18H20N4.2C2H6/c1-21(2)12-13-22-18(16-8-10-19-11-9-16)17(14-20-22)15-6-4-3-5-7-15;2*1-2/h3-11,14H,12-13H2,1-2H3;2*1-2H3
InChIKeyAXPQLZFRSANQPB-UHFFFAOYSA-N
MW352.53 g/mol
LogP5.23
Rot. Bonds5

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

N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane (PubChem CID 91106289) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane
PubChem CID91106289
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC NameN,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane
SMILESCC.CC.CN(C)CCn1ncc(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C18H20N4.2C2H6/c1-21(2)12-13-22-18(16-8-10-19-11-9-16)17(14-20-22)15-6-4-3-5-7-15;2*1-2/h3-11,14H,12-13H2,1-2H3;2*1-2H3
InChIKeyAXPQLZFRSANQPB-UHFFFAOYSA-N
XLogP5.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
CID 13409580
N,N-dimethyl-2-(6-pyridin-4-ylindazol-1-yl)ethanamine
CID 18007557
9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
CID 10452166
methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
CID 14723696
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
4-(1-ethyl-5-methylpyrazol-4-yl)pyridine
CID 157015319
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-phenylethanamine
CID 114666392
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
2-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylethanamine
CID 164680157
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
CID 90415790

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane (CID 91106289) is N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane is CC.CC.CN(C)CCn1ncc(-c2ccccc2)c1-c1ccncc1.
What is the InChIKey of N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane?
The InChIKey is AXPQLZFRSANQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.2C2H6/c1-21(2)12-13-22-18(16-8-10-19-11-9-16)17(14-20-22)15-6-4-3-5-7-15;2*1-2/h3-11,14H,12-13H2,1-2H3;2*1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane?
N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane has a molecular weight of 352.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane is sourced from PubChem (CID 91106289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).