N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide

C13H21N3O — CID 42958321

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESCc1c(C(C)NC(=O)C2CCCC2)cnn1C
InChIInChI=1S/C13H21N3O/c1-9(12-8-14-16(3)10(12)2)15-13(17)11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyBHOISNYXIFTLCG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide (PubChem CID 42958321) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
PubChem CID42958321
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESCc1c(C(C)NC(=O)C2CCCC2)cnn1C
InChIInChI=1S/C13H21N3O/c1-9(12-8-14-16(3)10(12)2)15-13(17)11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyBHOISNYXIFTLCG-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide (CID 42958321) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide is Cc1c(C(C)NC(=O)C2CCCC2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is BHOISNYXIFTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(12-8-14-16(3)10(12)2)15-13(17)11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42958321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).