3-amino-5-bromo-1H-pyrazole-4-carboxamide

C4H5BrN4O — CID 118024965

IUPAC3-amino-5-bromo-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1Br
InChIInChI=1S/C4H5BrN4O/c5-2-1(4(7)10)3(6)9-8-2/h(H2,7,10)(H3,6,8,9)
InChIKeyISGNVQUUGUESJZ-UHFFFAOYSA-N
MW205.01 g/mol
LogP-0.15
Rot. Bonds1

About 3-amino-5-bromo-1H-pyrazole-4-carboxamide

3-amino-5-bromo-1H-pyrazole-4-carboxamide (PubChem CID 118024965) has the molecular formula C4H5BrN4O and a molecular weight of 205.01 g/mol. Its IUPAC name is 3-amino-5-bromo-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-1H-pyrazole-4-carboxamide
PubChem CID118024965
Molecular FormulaC4H5BrN4O
Molecular Weight205.01 g/mol
Exact Mass203.96
IUPAC Name3-amino-5-bromo-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1Br
InChIInChI=1S/C4H5BrN4O/c5-2-1(4(7)10)3(6)9-8-2/h(H2,7,10)(H3,6,8,9)
InChIKeyISGNVQUUGUESJZ-UHFFFAOYSA-N
XLogP-0.15
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dibromopyrazolo[3,4-d]pyrimidin-4-one
CID 135735530
3,5-diamino-1H-pyrazole-4-carboxamide
CID 20395997
3,5-Dibromo-1H-pyrazole-4-carboxamide
CID 154720056
5-Bromopyrazolo[3,4-d]-s-triazin-4(3H)-one
CID 135833387
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380708
3,5-Diamino-1H-pyrazole-4-carbohydrazide
CID 12621025

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-bromo-1H-pyrazole-4-carboxamide (CID 118024965) is 3-amino-5-bromo-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-bromo-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n[nH]c1Br.
What is the InChIKey of 3-amino-5-bromo-1H-pyrazole-4-carboxamide?
The InChIKey is ISGNVQUUGUESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN4O/c5-2-1(4(7)10)3(6)9-8-2/h(H2,7,10)(H3,6,8,9).
What are the key properties of 3-amino-5-bromo-1H-pyrazole-4-carboxamide?
3-amino-5-bromo-1H-pyrazole-4-carboxamide has a molecular weight of 205.01 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118024965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).