4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide

C18H21ClFN3O — CID 156607773

IUPAC4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CCCC2Cc2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H21ClFN3O/c1-11-16(19)17(23(2)22-11)18(24)21-15-5-3-4-13(15)10-12-6-8-14(20)9-7-12/h6-9,13,15H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyIZHOETVCCYIAHM-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.66
Rot. Bonds4

About 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 156607773) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID156607773
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CCCC2Cc2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H21ClFN3O/c1-11-16(19)17(23(2)22-11)18(24)21-15-5-3-4-13(15)10-12-6-8-14(20)9-7-12/h6-9,13,15H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyIZHOETVCCYIAHM-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide (CID 156607773) is 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC2CCCC2Cc2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is IZHOETVCCYIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-11-16(19)17(23(2)22-11)18(24)21-15-5-3-4-13(15)10-12-6-8-14(20)9-7-12/h6-9,13,15H,3-5,10H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 156607773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).