N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide

C14H18N4O — CID 49176215

IUPACN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)Cc1cc(NC(=O)c2ccccn2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-10(2)8-11-9-13(18(3)17-11)16-14(19)12-6-4-5-7-15-12/h4-7,9-10H,8H2,1-3H3,(H,16,19)
InChIKeyFWBIZAZPEQUWSH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.27
Rot. Bonds4

About N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide

N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide (PubChem CID 49176215) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide
PubChem CID49176215
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCC(C)Cc1cc(NC(=O)c2ccccn2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-10(2)8-11-9-13(18(3)17-11)16-14(19)12-6-4-5-7-15-12/h4-7,9-10H,8H2,1-3H3,(H,16,19)
InChIKeyFWBIZAZPEQUWSH-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide (CID 49176215) is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide is CC(C)Cc1cc(NC(=O)c2ccccn2)n(C)n1.
What is the InChIKey of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide?
The InChIKey is FWBIZAZPEQUWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)8-11-9-13(18(3)17-11)16-14(19)12-6-4-5-7-15-12/h4-7,9-10H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide?
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 49176215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).