N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide

C13H21N3O — CID 3564038

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
SMILESCCn1nc(C)c(NC(=O)C2CCCC2)c1C
InChIInChI=1S/C13H21N3O/c1-4-16-10(3)12(9(2)15-16)14-13(17)11-7-5-6-8-11/h11H,4-8H2,1-3H3,(H,14,17)
InChIKeyLFCNMQQZTTVRBF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds3

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide (PubChem CID 3564038) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
PubChem CID3564038
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
SMILESCCn1nc(C)c(NC(=O)C2CCCC2)c1C
InChIInChI=1S/C13H21N3O/c1-4-16-10(3)12(9(2)15-16)14-13(17)11-7-5-6-8-11/h11H,4-8H2,1-3H3,(H,14,17)
InChIKeyLFCNMQQZTTVRBF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide
CID 35278959
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 19346724
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide
CID 91838166
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
CID 95805150
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclobutanecarboxamide
CID 35592842
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide (CID 3564038) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide is CCn1nc(C)c(NC(=O)C2CCCC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide?
The InChIKey is LFCNMQQZTTVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-10(3)12(9(2)15-16)14-13(17)11-7-5-6-8-11/h11H,4-8H2,1-3H3,(H,14,17).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide is sourced from PubChem (CID 3564038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).