4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid

C11H11N3O2 — CID 82393477

IUPAC4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C(=O)O)c1N
InChIInChI=1S/C11H11N3O2/c1-7-9(12)10(11(15)16)14(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,15,16)
InChIKeyNFUJBLMSVCRXKZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.46
Rot. Bonds2

About 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid

4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid (PubChem CID 82393477) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
PubChem CID82393477
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C(=O)O)c1N
InChIInChI=1S/C11H11N3O2/c1-7-9(12)10(11(15)16)14(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,15,16)
InChIKeyNFUJBLMSVCRXKZ-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 55148884
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid
CID 23269813

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid (CID 82393477) is 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid is Cc1nn(-c2ccccc2)c(C(=O)O)c1N.
What is the InChIKey of 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid?
The InChIKey is NFUJBLMSVCRXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-9(12)10(11(15)16)14(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid?
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82393477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).