N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide

C14H17BrN4O — CID 35284531

IUPACN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2cccnc2)c(C)c1Br
InChIInChI=1S/C14H17BrN4O/c1-10-13(15)11(2)19(18-10)8-4-7-17-14(20)12-5-3-6-16-9-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,20)
InChIKeyJMBWQKMIXWIULS-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.48
Rot. Bonds5

About N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 35284531) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID35284531
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2cccnc2)c(C)c1Br
InChIInChI=1S/C14H17BrN4O/c1-10-13(15)11(2)19(18-10)8-4-7-17-14(20)12-5-3-6-16-9-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,20)
InChIKeyJMBWQKMIXWIULS-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethylpyrazole-4-carboxamide
CID 19281138
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 4863020
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide
CID 19330082
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19330154
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327860
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023663
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide (CID 35284531) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide is Cc1nn(CCCNC(=O)c2cccnc2)c(C)c1Br.
What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is JMBWQKMIXWIULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10-13(15)11(2)19(18-10)8-4-7-17-14(20)12-5-3-6-16-9-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 35284531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).