1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid

C17H17N5O3 — CID 19483026

IUPAC1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
SMILESO=C(CCn1cc(C(=O)O)cn1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H17N5O3/c23-16(5-8-22-12-14(10-19-22)17(24)25)20-15-4-1-3-13(9-15)11-21-7-2-6-18-21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,23)(H,24,25)
InChIKeyZSCUCOPBZRFQSD-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.85
Rot. Bonds7

About 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid

1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid (PubChem CID 19483026) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
PubChem CID19483026
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
SMILESO=C(CCn1cc(C(=O)O)cn1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H17N5O3/c23-16(5-8-22-12-14(10-19-22)17(24)25)20-15-4-1-3-13(9-15)11-21-7-2-6-18-21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,23)(H,24,25)
InChIKeyZSCUCOPBZRFQSD-UHFFFAOYSA-N
XLogP1.85
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
1-[3-(3-chloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482990
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
1-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19482868
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
1-[3-(3,4-dichloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482906
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483193
1-[3-(3,4-dimethylanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482916
4-bromo-N-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]benzamide
CID 55612876

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid (CID 19483026) is 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid is O=C(CCn1cc(C(=O)O)cn1)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid?
The InChIKey is ZSCUCOPBZRFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-16(5-8-22-12-14(10-19-22)17(24)25)20-15-4-1-3-13(9-15)11-21-7-2-6-18-21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,23)(H,24,25).
What are the key properties of 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid?
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19483026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).