5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide

C9H13BrN4O — CID 129248362

IUPAC5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn(C2CCCC2)c1N
InChIInChI=1S/C9H13BrN4O/c10-7-6(9(12)15)8(11)14(13-7)5-3-1-2-4-5/h5H,1-4,11H2,(H2,12,15)
InChIKeyRQTOBHLRDFQKIP-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.44
Rot. Bonds2

About 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide

5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide (PubChem CID 129248362) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide
PubChem CID129248362
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn(C2CCCC2)c1N
InChIInChI=1S/C9H13BrN4O/c10-7-6(9(12)15)8(11)14(13-7)5-3-1-2-4-5/h5H,1-4,11H2,(H2,12,15)
InChIKeyRQTOBHLRDFQKIP-UHFFFAOYSA-N
XLogP1.44
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
CID 162755927
5-Amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane
CID 162755929
5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 162755930
5-amino-1-cyclopentyl-1H-pyrazole-4-carboxamide
CID 11701191
5-Amino-3-bromo-1-ethylpyrazole-4-carboxamide
CID 118024604
5-Amino-3-bromo-1-methyl-1H-pyrazole-4-carboxamide
CID 118024877
Tert-butyl 4-(5-amino-3-bromo-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 123427083
5-Amino-3-bromo-1-isopropyl-1H-pyrazole-4-carboxamide
CID 130067081
(3S)-3-(5-amino-3-bromo-4-carbamoylpyrazol-1-yl)pyrrolidine-1-carboxylic acid
CID 139343029
3-Bromo-1-cyclopentyl-4-methylpyrazol-5-amine
CID 156085238
5-Amino-1-(azetidin-3-yl)-3-bromopyrazole-4-carboxamide
CID 162380805
3-bromo-5-(methylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;dihydrochloride
CID 162381357

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide (CID 129248362) is 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide is NC(=O)c1c(Br)nn(C2CCCC2)c1N.
What is the InChIKey of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide?
The InChIKey is RQTOBHLRDFQKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-7-6(9(12)15)8(11)14(13-7)5-3-1-2-4-5/h5H,1-4,11H2,(H2,12,15).
What are the key properties of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide?
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxamide is sourced from PubChem (CID 129248362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).