N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide

C21H26N6O — CID 47083042

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H26N6O/c22-14-17-15-23-27(19-8-2-1-3-9-19)21(17)24-20(28)16-25-10-12-26(13-11-25)18-6-4-5-7-18/h1-3,8-9,15,18H,4-7,10-13,16H2,(H,24,28)
InChIKeyROSZVCZRTGCMHT-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.24
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide (PubChem CID 47083042) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
PubChem CID47083042
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H26N6O/c22-14-17-15-23-27(19-8-2-1-3-9-19)21(17)24-20(28)16-25-10-12-26(13-11-25)18-6-4-5-7-18/h1-3,8-9,15,18H,4-7,10-13,16H2,(H,24,28)
InChIKeyROSZVCZRTGCMHT-UHFFFAOYSA-N
XLogP2.24
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide (CID 47083042) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide?
The InChIKey is ROSZVCZRTGCMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c22-14-17-15-23-27(19-8-2-1-3-9-19)21(17)24-20(28)16-25-10-12-26(13-11-25)18-6-4-5-7-18/h1-3,8-9,15,18H,4-7,10-13,16H2,(H,24,28).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide is sourced from PubChem (CID 47083042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).