1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide

C20H23N5O3 — CID 5330951

IUPAC1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCC(C(N)=O)C2=O)cc1
InChIInChI=1S/C20H23N5O3/c1-11(19(27)22-17-10-16(23-24-17)13-2-3-13)12-4-6-14(7-5-12)25-9-8-15(18(21)26)20(25)28/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H2,21,26)(H2,22,23,24,27)
InChIKeyPQTPLILJDUSKCC-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.87
Rot. Bonds6

About 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide

1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 5330951) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID5330951
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCC(C(N)=O)C2=O)cc1
InChIInChI=1S/C20H23N5O3/c1-11(19(27)22-17-10-16(23-24-17)13-2-3-13)12-4-6-14(7-5-12)25-9-8-15(18(21)26)20(25)28/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H2,21,26)(H2,22,23,24,27)
InChIKeyPQTPLILJDUSKCC-UHFFFAOYSA-N
XLogP1.87
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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
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
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 5330967
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide (CID 5330951) is 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCC(C(N)=O)C2=O)cc1.
What is the InChIKey of 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PQTPLILJDUSKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11(19(27)22-17-10-16(23-24-17)13-2-3-13)12-4-6-14(7-5-12)25-9-8-15(18(21)26)20(25)28/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H2,21,26)(H2,22,23,24,27).
What are the key properties of 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide?
1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5330951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).