1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide

C13H15N5O2 — CID 64780083

IUPAC1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
SMILESCC(C(=O)Nc1ccc(N)cc1)n1cc(C(N)=O)cn1
InChIInChI=1S/C13H15N5O2/c1-8(18-7-9(6-16-18)12(15)19)13(20)17-11-4-2-10(14)3-5-11/h2-8H,14H2,1H3,(H2,15,19)(H,17,20)
InChIKeySGIIZOKFBGNPSA-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.76
Rot. Bonds4

About 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide

1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide (PubChem CID 64780083) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
PubChem CID64780083
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
SMILESCC(C(=O)Nc1ccc(N)cc1)n1cc(C(N)=O)cn1
InChIInChI=1S/C13H15N5O2/c1-8(18-7-9(6-16-18)12(15)19)13(20)17-11-4-2-10(14)3-5-11/h2-8H,14H2,1H3,(H2,15,19)(H,17,20)
InChIKeySGIIZOKFBGNPSA-UHFFFAOYSA-N
XLogP0.76
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
CID 43116751
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
1-[1-[4-(diethylamino)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504874
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919
2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide
CID 130573531
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide (CID 64780083) is 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide is CC(C(=O)Nc1ccc(N)cc1)n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide?
The InChIKey is SGIIZOKFBGNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(18-7-9(6-16-18)12(15)19)13(20)17-11-4-2-10(14)3-5-11/h2-8H,14H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide?
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 64780083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).