1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid

C15H17N3O3 — CID 19496540

IUPAC1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C15H17N3O3/c1-9(2)10-4-6-11(7-5-10)16-14(19)13-12(15(20)21)8-18(3)17-13/h4-9H,1-3H3,(H,16,19)(H,20,21)
InChIKeyZNXVVSRZIAHBQE-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.49
Rot. Bonds4

About 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid

1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 19496540) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
PubChem CID19496540
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C15H17N3O3/c1-9(2)10-4-6-11(7-5-10)16-14(19)13-12(15(20)21)8-18(3)17-13/h4-9H,1-3H3,(H,16,19)(H,20,21)
InChIKeyZNXVVSRZIAHBQE-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
CID 3572333
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498518
1-[3-oxo-3-(4-propan-2-ylanilino)propyl]pyrazole-3-carboxylic acid
CID 19470585
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid (CID 19496540) is 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid is CC(C)c1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1.
What is the InChIKey of 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is ZNXVVSRZIAHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)10-4-6-11(7-5-10)16-14(19)13-12(15(20)21)8-18(3)17-13/h4-9H,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid?
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19496540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).