N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide

C24H23N5O3 — CID 86860813

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C24H23N5O3/c25-14-19-15-26-29(20-4-2-1-3-5-20)24(19)27-22(31)16-28-12-10-18(11-13-28)23(32)17-6-8-21(30)9-7-17/h1-9,15,18,30H,10-13,16H2,(H,27,31)
InChIKeyGFBMYVOXCDCKFD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.98
Rot. Bonds6

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide (PubChem CID 86860813) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide
PubChem CID86860813
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C24H23N5O3/c25-14-19-15-26-29(20-4-2-1-3-5-20)24(19)27-22(31)16-28-12-10-18(11-13-28)23(32)17-6-8-21(30)9-7-17/h1-9,15,18,30H,10-13,16H2,(H,27,31)
InChIKeyGFBMYVOXCDCKFD-UHFFFAOYSA-N
XLogP2.98
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042
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CID 124742043
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 47811081
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47811260
ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 55437084
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519557
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47773596
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530657
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530055
2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide (CID 86860813) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide?
The InChIKey is GFBMYVOXCDCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c25-14-19-15-26-29(20-4-2-1-3-5-20)24(19)27-22(31)16-28-12-10-18(11-13-28)23(32)17-6-8-21(30)9-7-17/h1-9,15,18,30H,10-13,16H2,(H,27,31).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86860813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).