2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid

C19H25N3O3 — CID 19492194

IUPAC2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid
SMILESCCC(NC(=O)CCn1nccc1C(=O)O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N3O3/c1-4-16(15-7-5-14(6-8-15)13(2)3)21-18(23)10-12-22-17(19(24)25)9-11-20-22/h5-9,11,13,16H,4,10,12H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyHVIFWQXFRVUDDQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.36
Rot. Bonds8

About 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid

2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid (PubChem CID 19492194) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid
PubChem CID19492194
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid
SMILESCCC(NC(=O)CCn1nccc1C(=O)O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N3O3/c1-4-16(15-7-5-14(6-8-15)13(2)3)21-18(23)10-12-22-17(19(24)25)9-11-20-22/h5-9,11,13,16H,4,10,12H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyHVIFWQXFRVUDDQ-UHFFFAOYSA-N
XLogP3.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
CID 19494063
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542086
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492092
2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492024
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 131930615
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482443
2-[3-oxo-3-(4-phenylanilino)propyl]pyrazole-3-carboxylic acid
CID 19492142
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid (CID 19492194) is 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid is CCC(NC(=O)CCn1nccc1C(=O)O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid?
The InChIKey is HVIFWQXFRVUDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-16(15-7-5-14(6-8-15)13(2)3)21-18(23)10-12-22-17(19(24)25)9-11-20-22/h5-9,11,13,16H,4,10,12H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid?
2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19492194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).