2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile

C23H19N5O — CID 45483025

IUPAC2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile
SMILESCOc1cc(C)cc(-c2c(-c3ccc(-c4cccnc4)nc3)cnn2CC#N)c1
InChIInChI=1S/C23H19N5O/c1-16-10-19(12-20(11-16)29-2)23-21(15-27-28(23)9-7-24)17-5-6-22(26-14-17)18-4-3-8-25-13-18/h3-6,8,10-15H,9H2,1-2H3
InChIKeyMVEPADPXFDOLQB-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.51
Rot. Bonds5

About 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile

2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile (PubChem CID 45483025) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile
PubChem CID45483025
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile
SMILESCOc1cc(C)cc(-c2c(-c3ccc(-c4cccnc4)nc3)cnn2CC#N)c1
InChIInChI=1S/C23H19N5O/c1-16-10-19(12-20(11-16)29-2)23-21(15-27-28(23)9-7-24)17-5-6-22(26-14-17)18-4-3-8-25-13-18/h3-6,8,10-15H,9H2,1-2H3
InChIKeyMVEPADPXFDOLQB-UHFFFAOYSA-N
XLogP4.51
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-acetylphenyl)-4-pyridinyl]-5-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45482655
2-[4-[2-(2-acetylphenyl)-4-pyridinyl]-5-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483049
N-[3-[4-[1-(cyanomethyl)-5-(3-methoxy-5-methylphenyl)pyrazol-4-yl]-2-pyridinyl]phenyl]acetamide
CID 45482661
2-[4-[2-(3-acetylphenyl)-4-pyridinyl]-5-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile;2-[4-[2-(3-acetylphenyl)-4-pyridinyl]-5-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile;methylsulfanylmethane;trifluoroborane
CID 159401086
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol
CID 155805804
2-(6-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131870368
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
2-[[3-cyano-4-(4-methoxyphenyl)-6-pyridin-3-yl-2-pyridinyl]sulfanyl]acetamide
CID 46242707
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134179071
(2S)-1-[[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]amino]propan-2-ol
CID 118706423

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile (CID 45483025) is 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile is COc1cc(C)cc(-c2c(-c3ccc(-c4cccnc4)nc3)cnn2CC#N)c1.
What is the InChIKey of 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile?
The InChIKey is MVEPADPXFDOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-16-10-19(12-20(11-16)29-2)23-21(15-27-28(23)9-7-24)17-5-6-22(26-14-17)18-4-3-8-25-13-18/h3-6,8,10-15H,9H2,1-2H3.
What are the key properties of 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile?
2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxy-5-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 45483025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).