N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

C19H27N3O — CID 71808708

IUPACN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cc(C2CC2)n(C2CCCC2)n1)C1CC=CCC1
InChIInChI=1S/C19H27N3O/c23-19(15-6-2-1-3-7-15)20-13-16-12-18(14-10-11-14)22(21-16)17-8-4-5-9-17/h1-2,12,14-15,17H,3-11,13H2,(H,20,23)
InChIKeyXJGSECHIXSHMDM-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.85
Rot. Bonds5

About N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71808708) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71808708
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cc(C2CC2)n(C2CCCC2)n1)C1CC=CCC1
InChIInChI=1S/C19H27N3O/c23-19(15-6-2-1-3-7-15)20-13-16-12-18(14-10-11-14)22(21-16)17-8-4-5-9-17/h1-2,12,14-15,17H,3-11,13H2,(H,20,23)
InChIKeyXJGSECHIXSHMDM-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71808708) is N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)C1CC=CCC1.
What is the InChIKey of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XJGSECHIXSHMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(15-6-2-1-3-7-15)20-13-16-12-18(14-10-11-14)22(21-16)17-8-4-5-9-17/h1-2,12,14-15,17H,3-11,13H2,(H,20,23).
What are the key properties of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).