1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide

C10H9BrN4O — CID 106877651

IUPAC1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1ccnc(-n2cc(C(N)=O)cn2)c1Br
InChIInChI=1S/C10H9BrN4O/c1-6-2-3-13-10(8(6)11)15-5-7(4-14-15)9(12)16/h2-5H,1H3,(H2,12,16)
InChIKeyCUFLJNOOLRLSHS-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide

1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 106877651) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID106877651
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1ccnc(-n2cc(C(N)=O)cn2)c1Br
InChIInChI=1S/C10H9BrN4O/c1-6-2-3-13-10(8(6)11)15-5-7(4-14-15)9(12)16/h2-5H,1H3,(H2,12,16)
InChIKeyCUFLJNOOLRLSHS-UHFFFAOYSA-N
XLogP1.44
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methyl-2-pyridinyl)pyrazol-4-amine
CID 106876391
1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 106877646
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868515
1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605
1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 165488499
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 64781989
1-(4-carbamothioylpyridazin-3-yl)pyrazole-4-carboxamide
CID 80511607
1-(5-formyl-2-methylphenyl)pyrazole-4-carboxamide
CID 105405310
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868430
3-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 155661725
1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide
CID 65342368

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide (CID 106877651) is 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide is Cc1ccnc(-n2cc(C(N)=O)cn2)c1Br.
What is the InChIKey of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is CUFLJNOOLRLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-6-2-3-13-10(8(6)11)15-5-7(4-14-15)9(12)16/h2-5H,1H3,(H2,12,16).
What are the key properties of 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 106877651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).