N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide

C14H21N3O — CID 54876844

IUPACN-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCN(C(=O)c1c(C)n[nH]c1C)C1CCCC1
InChIInChI=1S/C14H21N3O/c1-4-9-17(12-7-5-6-8-12)14(18)13-10(2)15-16-11(13)3/h4,12H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyFNSPSVWHSPNJMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide

N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide (PubChem CID 54876844) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
PubChem CID54876844
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCN(C(=O)c1c(C)n[nH]c1C)C1CCCC1
InChIInChI=1S/C14H21N3O/c1-4-9-17(12-7-5-6-8-12)14(18)13-10(2)15-16-11(13)3/h4,12H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyFNSPSVWHSPNJMQ-UHFFFAOYSA-N
XLogP2.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide (CID 54876844) is N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide is C=CCN(C(=O)c1c(C)n[nH]c1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The InChIKey is FNSPSVWHSPNJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-9-17(12-7-5-6-8-12)14(18)13-10(2)15-16-11(13)3/h4,12H,1,5-9H2,2-3H3,(H,15,16).
What are the key properties of N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).