3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid

C14H12BrN3O3 — CID 64527087

IUPAC3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1
InChIInChI=1S/C14H12BrN3O3/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)16-11-7-10(12(19)20)17-18-11/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21)
InChIKeyVMMRZMOHYJDYMD-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.54
Rot. Bonds4

About 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527087) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527087
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1
InChIInChI=1S/C14H12BrN3O3/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)16-11-7-10(12(19)20)17-18-11/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21)
InChIKeyVMMRZMOHYJDYMD-UHFFFAOYSA-N
XLogP2.54
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526668
1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115609339
6-[[4-(4-bromophenyl)oxane-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67987807
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 22176751
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64527087) is 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1.
What is the InChIKey of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is VMMRZMOHYJDYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)16-11-7-10(12(19)20)17-18-11/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21).
What are the key properties of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 350.17 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).