N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide

C17H19N5O2 — CID 141408726

IUPACN-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(-c2ccc(O)cc2)nn1[C@H]1CCCNC1
InChIInChI=1S/C17H19N5O2/c1-11(23)20-17-15(9-18)16(12-4-6-14(24)7-5-12)21-22(17)13-3-2-8-19-10-13/h4-7,13,19,24H,2-3,8,10H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyWFGVASBMUXBTOD-ZDUSSCGKSA-N
MW325.37 g/mol
LogP2.01
Rot. Bonds3

About N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide

N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide (PubChem CID 141408726) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide
PubChem CID141408726
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(-c2ccc(O)cc2)nn1[C@H]1CCCNC1
InChIInChI=1S/C17H19N5O2/c1-11(23)20-17-15(9-18)16(12-4-6-14(24)7-5-12)21-22(17)13-3-2-8-19-10-13/h4-7,13,19,24H,2-3,8,10H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyWFGVASBMUXBTOD-ZDUSSCGKSA-N
XLogP2.01
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (3R)-3-[5-acetamido-4-cyano-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 131743995
2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 141404090
3-(4-bromophenyl)-4-cyano-1-cyclopentylpyrazole-5-carboxylic acid
CID 166732147
4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide
CID 146562766
3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
CID 105444436
2-[4-(5-amino-4-cyano-1-cyclobutylpyrazol-3-yl)phenyl]acetic acid
CID 164765583
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
CID 162313016
N-[4-(4-amino-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-(4-cyano-2-pyridinyl)-2,2,2-trifluoroacetamide
CID 118692310
4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162675
3-(4-methylsulfinylphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 71514501
1-[(3R)-3-[4-amino-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-(4-methylphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157454433
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide (CID 141408726) is N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide is CC(=O)Nc1c(C#N)c(-c2ccc(O)cc2)nn1[C@H]1CCCNC1.
What is the InChIKey of N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide?
The InChIKey is WFGVASBMUXBTOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(23)20-17-15(9-18)16(12-4-6-14(24)7-5-12)21-22(17)13-3-2-8-19-10-13/h4-7,13,19,24H,2-3,8,10H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide?
N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(4-hydroxyphenyl)-1-[(3S)-piperidin-3-yl]pyrazol-5-yl]acetamide is sourced from PubChem (CID 141408726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).