2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide

C21H21ClN4O — CID 90555288

IUPAC2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C21H21ClN4O/c22-19-8-4-3-7-18(19)21(27)24-14-16-13-20(15-9-11-23-12-10-15)26(25-16)17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H,24,27)
InChIKeyBWUSUEQMSANXGG-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.64
Rot. Bonds5

About 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide

2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide (PubChem CID 90555288) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
PubChem CID90555288
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C21H21ClN4O/c22-19-8-4-3-7-18(19)21(27)24-14-16-13-20(15-9-11-23-12-10-15)26(25-16)17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H,24,27)
InChIKeyBWUSUEQMSANXGG-UHFFFAOYSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide (CID 90555288) is 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide is O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide?
The InChIKey is BWUSUEQMSANXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-19-8-4-3-7-18(19)21(27)24-14-16-13-20(15-9-11-23-12-10-15)26(25-16)17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H,24,27).
What are the key properties of 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide?
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 90555288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).