N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide

C16H18ClN3O — CID 1246859

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCC1
InChIInChI=1S/C16H18ClN3O/c17-14-7-5-12(6-8-14)10-20-11-15(9-18-20)19-16(21)13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,19,21)
InChIKeyDYVWKUVAQABNDB-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.71
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 1246859) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID1246859
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCC1
InChIInChI=1S/C16H18ClN3O/c17-14-7-5-12(6-8-14)10-20-11-15(9-18-20)19-16(21)13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,19,21)
InChIKeyDYVWKUVAQABNDB-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide (CID 1246859) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is DYVWKUVAQABNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-7-5-12(6-8-14)10-20-11-15(9-18-20)19-16(21)13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,19,21).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 1246859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).