4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C16H19N3O4 — CID 67107529

IUPAC4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1C(=O)O
InChIInChI=1S/C16H19N3O4/c1-16(2,3)9-5-6-12(23-4)10(7-9)14(20)18-11-8-17-19-13(11)15(21)22/h5-8H,1-4H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKBHBAOPBJILPOU-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.67
Rot. Bonds4

About 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 67107529) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID67107529
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1C(=O)O
InChIInChI=1S/C16H19N3O4/c1-16(2,3)9-5-6-12(23-4)10(7-9)14(20)18-11-8-17-19-13(11)15(21)22/h5-8H,1-4H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKBHBAOPBJILPOU-UHFFFAOYSA-N
XLogP2.67
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 67105958
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 105063309
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162647906
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 67107529) is 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is COc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KBHBAOPBJILPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2,3)9-5-6-12(23-4)10(7-9)14(20)18-11-8-17-19-13(11)15(21)22/h5-8H,1-4H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 67107529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).