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

C19H24N4O — CID 5330970

IUPAC(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@H](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)/t13-/m0/s1
InChIKeyPUQPISAECVJMHV-ZDUSSCGKSA-N
MW324.43 g/mol
LogP3.63
Rot. Bonds5

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

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 5330970) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID5330970
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@H](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)/t13-/m0/s1
InChIKeyPUQPISAECVJMHV-ZDUSSCGKSA-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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Related Compounds

Pnu-292137
CID 449087
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
Pha-533533
CID 5330949
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
3-Aminopyrazole deriv. 15
CID 5330951
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
(2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanamide
CID 5330955
3-Aminopyrazole deriv. 27
CID 5330961
3-Aminopyrazole deriv. 28
CID 5330962

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide (CID 5330970) is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide is C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is PUQPISAECVJMHV-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide?
(2S)-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 (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 5330970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).