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

C22H17N5O — CID 44626349

IUPAC2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile
SMILESCc1cc(O)cc(-c2nn(CC#N)cc2-c2ccnc(-c3cccnc3)c2)c1
InChIInChI=1S/C22H17N5O/c1-15-9-18(11-19(28)10-15)22-20(14-27(26-22)8-5-23)16-4-7-25-21(12-16)17-3-2-6-24-13-17/h2-4,6-7,9-14,28H,8H2,1H3
InChIKeyNUAUUAREUGURAU-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.21
Rot. Bonds4

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

2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile (PubChem CID 44626349) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile
PubChem CID44626349
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile
SMILESCc1cc(O)cc(-c2nn(CC#N)cc2-c2ccnc(-c3cccnc3)c2)c1
InChIInChI=1S/C22H17N5O/c1-15-9-18(11-19(28)10-15)22-20(14-27(26-22)8-5-23)16-4-7-25-21(12-16)17-3-2-6-24-13-17/h2-4,6-7,9-14,28H,8H2,1H3
InChIKeyNUAUUAREUGURAU-UHFFFAOYSA-N
XLogP4.21
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
2-[3-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11558948
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
2-(4-(2-(4-(dimethylamino)phenyl)pyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl)acetonitrile
CID 45482631
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483003
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483027
2-[3-(3-Hydroxy-5-methylphenyl)-4-[6-(2-methylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726566
2-[4-[6-(4-Hydroxybutylamino)-2-pyridin-3-ylpyrimidin-4-yl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 118726568
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
4-[4-(Pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 24824066

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile (CID 44626349) is 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile is Cc1cc(O)cc(-c2nn(CC#N)cc2-c2ccnc(-c3cccnc3)c2)c1.
What is the InChIKey of 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile?
The InChIKey is NUAUUAREUGURAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15-9-18(11-19(28)10-15)22-20(14-27(26-22)8-5-23)16-4-7-25-21(12-16)17-3-2-6-24-13-17/h2-4,6-7,9-14,28H,8H2,1H3.
What are the key properties of 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile?
2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile has a molecular weight of 367.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxy-5-methylphenyl)-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 44626349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).