N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide

C19H24N4O — CID 5330969

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H24N4O/c1-13(14-6-8-16(9-7-14)23-10-2-3-11-23)19(24)20-18-12-17(21-22-18)15-4-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)
InChIKeyPUQPISAECVJMHV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.63
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 5330969) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID5330969
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H24N4O/c1-13(14-6-8-16(9-7-14)23-10-2-3-11-23)19(24)20-18-12-17(21-22-18)15-4-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)
InChIKeyPUQPISAECVJMHV-UHFFFAOYSA-N
XLogP3.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide (CID 5330969) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is PUQPISAECVJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(14-6-8-16(9-7-14)23-10-2-3-11-23)19(24)20-18-12-17(21-22-18)15-4-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,20,21,22,24).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 324.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 5330969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).