2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide

C20H27N5O2 — CID 110121728

IUPAC2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C20H27N5O2/c1-16(26)22-13-17-14-23-25(15-17)19-8-4-3-7-18(19)20(27)21-9-12-24-10-5-2-6-11-24/h3-4,7-8,14-15H,2,5-6,9-13H2,1H3,(H,21,27)(H,22,26)
InChIKeyXQWZQJISRIACQS-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.72
Rot. Bonds7

About 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide

2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 110121728) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID110121728
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C20H27N5O2/c1-16(26)22-13-17-14-23-25(15-17)19-8-4-3-7-18(19)20(27)21-9-12-24-10-5-2-6-11-24/h3-4,7-8,14-15H,2,5-6,9-13H2,1H3,(H,21,27)(H,22,26)
InChIKeyXQWZQJISRIACQS-UHFFFAOYSA-N
XLogP1.72
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 110121784
N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 110121786
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 110121728) is 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide is CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is XQWZQJISRIACQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16(26)22-13-17-14-23-25(15-17)19-8-4-3-7-18(19)20(27)21-9-12-24-10-5-2-6-11-24/h3-4,7-8,14-15H,2,5-6,9-13H2,1H3,(H,21,27)(H,22,26).
What are the key properties of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide?
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 110121728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).