5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide

C13H10BrN5O — CID 177046812

IUPAC5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc3cccnc3n2)n[nH]c1Br
InChIInChI=1S/C13H10BrN5O/c1-7-10(18-19-11(7)14)13(20)17-9-5-4-8-3-2-6-15-12(8)16-9/h2-6H,1H3,(H,18,19)(H,15,16,17,20)
InChIKeySRYMMAHNHUDSTD-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.68
Rot. Bonds2

About 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide

5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 177046812) has the molecular formula C13H10BrN5O and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID177046812
Molecular FormulaC13H10BrN5O
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC Name5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc3cccnc3n2)n[nH]c1Br
InChIInChI=1S/C13H10BrN5O/c1-7-10(18-19-11(7)14)13(20)17-9-5-4-8-3-2-6-15-12(8)16-9/h2-6H,1H3,(H,18,19)(H,15,16,17,20)
InChIKeySRYMMAHNHUDSTD-UHFFFAOYSA-N
XLogP2.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide
CID 177047187
5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
CID 166156402
N-(1,8-naphthyridin-2-yl)-5-phenylpyrimidine-2-carboxamide
CID 177046877
6-(4-chlorophenyl)-N-(1,8-naphthyridin-2-yl)pyridine-3-carboxamide
CID 177047263
4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide
CID 177047470
N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
CID 45117995
6-(4-cyclopropylphenyl)-N-(1,8-naphthyridin-2-yl)pyridine-3-carboxamide
CID 177047597
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811
3-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 110474752
N-[6-[2-(1,8-naphthyridin-2-yl)ethyl]-2-pyridinyl]acetamide
CID 91134508
sodium N-(1,8-naphthyridin-2-yl)nitrous amide
CID 54607944
tert-butyl 3-[2-bromo-5-(1,8-naphthyridin-2-ylcarbamoyl)phenyl]sulfanylazetidine-1-carboxylate
CID 177047487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide (CID 177046812) is 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc3cccnc3n2)n[nH]c1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SRYMMAHNHUDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O/c1-7-10(18-19-11(7)14)13(20)17-9-5-4-8-3-2-6-15-12(8)16-9/h2-6H,1H3,(H,18,19)(H,15,16,17,20).
What are the key properties of 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide?
5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 177046812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).