4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide

C10H10BrN5O — CID 107345465

IUPAC4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2cncc(Br)c2)cc1N
InChIInChI=1S/C10H10BrN5O/c11-7-1-6(2-14-3-7)4-16-5-8(12)9(15-16)10(13)17/h1-3,5H,4,12H2,(H2,13,17)
InChIKeyPUBYQOCLHOQDAC-UHFFFAOYSA-N
MW296.13 g/mol
LogP0.77
Rot. Bonds3

About 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide

4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 107345465) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID107345465
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2cncc(Br)c2)cc1N
InChIInChI=1S/C10H10BrN5O/c11-7-1-6(2-14-3-7)4-16-5-8(12)9(15-16)10(13)17/h1-3,5H,4,12H2,(H2,13,17)
InChIKeyPUBYQOCLHOQDAC-UHFFFAOYSA-N
XLogP0.77
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092
[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
CID 104810230
4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
CID 107344308
4-amino-1-[(2-methyltetrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 107345303
3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
CID 115641056
4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
CID 107345141
2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
CID 104810232
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 107345349
4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide
CID 107345205
1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359542

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide (CID 107345465) is 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide is NC(=O)c1nn(Cc2cncc(Br)c2)cc1N.
What is the InChIKey of 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is PUBYQOCLHOQDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c11-7-1-6(2-14-3-7)4-16-5-8(12)9(15-16)10(13)17/h1-3,5H,4,12H2,(H2,13,17).
What are the key properties of 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 296.13 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).