4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide

C11H16ClN3O — CID 3473350

IUPAC4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CCCC2)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-9(12)10(15(2)14-7)11(16)13-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyAPMQLLXYJKBODN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 3473350) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide
PubChem CID3473350
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CCCC2)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-9(12)10(15(2)14-7)11(16)13-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyAPMQLLXYJKBODN-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide (CID 3473350) is 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC2CCCC2)c1Cl.
What is the InChIKey of 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is APMQLLXYJKBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-9(12)10(15(2)14-7)11(16)13-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 3473350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).