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

C20H21N5O2 — CID 110121784

IUPAC2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(=O)NCc1cnn(-c2ccccc2C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C20H21N5O2/c1-15(26)23-12-16-13-24-25(14-16)19-8-3-2-7-18(19)20(27)22-11-9-17-6-4-5-10-21-17/h2-8,10,13-14H,9,11-12H2,1H3,(H,22,27)(H,23,26)
InChIKeyHHVRJRJYRLYUEQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.88
Rot. Bonds7

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

2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 110121784) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID110121784
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCC(=O)NCc1cnn(-c2ccccc2C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C20H21N5O2/c1-15(26)23-12-16-13-24-25(14-16)19-8-3-2-7-18(19)20(27)22-11-9-17-6-4-5-10-21-17/h2-8,10,13-14H,9,11-12H2,1H3,(H,22,27)(H,23,26)
InChIKeyHHVRJRJYRLYUEQ-UHFFFAOYSA-N
XLogP1.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(acetamidomethyl)pyrazol-1-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 110121786
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 110121728
N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide (CID 110121784) is 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide is CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is HHVRJRJYRLYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-15(26)23-12-16-13-24-25(14-16)19-8-3-2-7-18(19)20(27)22-11-9-17-6-4-5-10-21-17/h2-8,10,13-14H,9,11-12H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide?
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 1.88, 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-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 110121784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).