4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

C9H10BrN5O — CID 19329213

IUPAC4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1ccc(CNC(=O)c2[nH]ncc2Br)n1
InChIInChI=1S/C9H10BrN5O/c1-15-3-2-6(14-15)4-11-9(16)8-7(10)5-12-13-8/h2-3,5H,4H2,1H3,(H,11,16)(H,12,13)
InChIKeyAWGSOCXYNXGUOC-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.84
Rot. Bonds3

About 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 19329213) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID19329213
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1ccc(CNC(=O)c2[nH]ncc2Br)n1
InChIInChI=1S/C9H10BrN5O/c1-15-3-2-6(14-15)4-11-9(16)8-7(10)5-12-13-8/h2-3,5H,4H2,1H3,(H,11,16)(H,12,13)
InChIKeyAWGSOCXYNXGUOC-UHFFFAOYSA-N
XLogP0.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
N-[(1-methylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135577428
5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 82875126
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 19329213) is 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is Cn1ccc(CNC(=O)c2[nH]ncc2Br)n1.
What is the InChIKey of 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AWGSOCXYNXGUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-15-3-2-6(14-15)4-11-9(16)8-7(10)5-12-13-8/h2-3,5H,4H2,1H3,(H,11,16)(H,12,13).
What are the key properties of 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 284.12 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19329213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).