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

C5H7BrN4O — CID 18329748

IUPAC4-amino-5-bromo-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)c(N)c1Br
InChIInChI=1S/C5H7BrN4O/c1-10-4(6)2(7)3(9-10)5(8)11/h7H2,1H3,(H2,8,11)
InChIKeyCTXLYORJPHPWSC-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.14
Rot. Bonds1

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

4-amino-5-bromo-1-methylpyrazole-3-carboxamide (PubChem CID 18329748) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 4-amino-5-bromo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-bromo-1-methylpyrazole-3-carboxamide
PubChem CID18329748
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name4-amino-5-bromo-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)c(N)c1Br
InChIInChI=1S/C5H7BrN4O/c1-10-4(6)2(7)3(9-10)5(8)11/h7H2,1H3,(H2,8,11)
InChIKeyCTXLYORJPHPWSC-UHFFFAOYSA-N
XLogP-0.14
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-methyl-2H,6H,7H-pyrazolo(4,3-d)pyrimidin-7-one
CID 137174250
3-bromo-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol
CID 136929400
4-amino-N,5-dibromo-1-methylpyrazole-3-carboxamide
CID 54400652
3-bromo-1-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol
CID 59817655
3-Bromo-1-methyl-1H-pyrazole-5-carboxamide
CID 131039672
3-Bromo-5-chloro-1,6-dihydro-1-methyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 136207436
3-Bromo-1,5-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one
CID 137158007
3-bromo-2-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 139415099
4-Amino-5-bromo-1-methylpyrazole-3-carboxamide;hydrobromide
CID 158784498
(6R)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235399
(7S)-3-amino-2-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235447
(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235561

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide (CID 18329748) is 4-amino-5-bromo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-bromo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-bromo-1-methylpyrazole-3-carboxamide is Cn1nc(C(N)=O)c(N)c1Br.
What is the InChIKey of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide?
The InChIKey is CTXLYORJPHPWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-10-4(6)2(7)3(9-10)5(8)11/h7H2,1H3,(H2,8,11).
What are the key properties of 4-amino-5-bromo-1-methylpyrazole-3-carboxamide?
4-amino-5-bromo-1-methylpyrazole-3-carboxamide has a molecular weight of 219.04 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 18329748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).