4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide

C15H17BrN4O — CID 48625263

IUPAC4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C15H17BrN4O/c1-20(9-7-11-4-2-3-8-17-11)15(21)14-12(16)13(18-19-14)10-5-6-10/h2-4,8,10H,5-7,9H2,1H3,(H,18,19)
InChIKeyQTILULIMGJLJGD-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.76
Rot. Bonds5

About 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide

4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 48625263) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID48625263
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C15H17BrN4O/c1-20(9-7-11-4-2-3-8-17-11)15(21)14-12(16)13(18-19-14)10-5-6-10/h2-4,8,10H,5-7,9H2,1H3,(H,18,19)
InChIKeyQTILULIMGJLJGD-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 48589989
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2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
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3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
4-amino-N-methyl-5-propyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide (CID 48625263) is 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide is CN(CCc1ccccn1)C(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QTILULIMGJLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-20(9-7-11-4-2-3-8-17-11)15(21)14-12(16)13(18-19-14)10-5-6-10/h2-4,8,10H,5-7,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 48625263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).