N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide

C13H16N4O — CID 134798763

IUPACN-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccncc2)nn1C
InChIInChI=1S/C13H16N4O/c1-3-4-13(18)15-12-9-11(16-17(12)2)10-5-7-14-8-6-10/h5-9H,3-4H2,1-2H3,(H,15,18)
InChIKeyKTVUHUMGXWHXPE-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.22
Rot. Bonds4

About N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide

N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide (PubChem CID 134798763) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
PubChem CID134798763
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccncc2)nn1C
InChIInChI=1S/C13H16N4O/c1-3-4-13(18)15-12-9-11(16-17(12)2)10-5-7-14-8-6-10/h5-9H,3-4H2,1-2H3,(H,15,18)
InChIKeyKTVUHUMGXWHXPE-UHFFFAOYSA-N
XLogP2.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
CID 134799813
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
(2S)-2-amino-3-(3,4-difluorophenyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)propanamide
CID 67496533
(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide
CID 97377818
N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 155909949
5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide
CID 158025515
(3R)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidine-3-carboxamide
CID 138001539
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 71922693
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 46982645
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 110928296

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
The IUPAC name of N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide (CID 134798763) is N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
The canonical SMILES for N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide is CCCC(=O)Nc1cc(-c2ccncc2)nn1C.
What is the InChIKey of N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
The InChIKey is KTVUHUMGXWHXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-4-13(18)15-12-9-11(16-17(12)2)10-5-7-14-8-6-10/h5-9H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide has a molecular weight of 244.30 g/mol, XLogP of 2.22, 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-pyridin-4-ylpyrazol-5-yl)butanamide is sourced from PubChem (CID 134798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).