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

C14H18N4O — CID 90554937

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-3-4-14(19)16-10-12-9-13(18(2)17-12)11-5-7-15-8-6-11/h5-9H,3-4,10H2,1-2H3,(H,16,19)
InChIKeyLKBNONOTACOXMP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.90
Rot. Bonds5

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

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide (PubChem CID 90554937) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
PubChem CID90554937
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-3-4-14(19)16-10-12-9-13(18(2)17-12)11-5-7-15-8-6-11/h5-9H,3-4,10H2,1-2H3,(H,16,19)
InChIKeyLKBNONOTACOXMP-UHFFFAOYSA-N
XLogP1.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
CID 90555005
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 71797521
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
2-(3-methoxyphenoxy)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90555028
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide (CID 90554937) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide is CCCC(=O)NCc1cc(-c2ccncc2)n(C)n1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide?
The InChIKey is LKBNONOTACOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-4-14(19)16-10-12-9-13(18(2)17-12)11-5-7-15-8-6-11/h5-9H,3-4,10H2,1-2H3,(H,16,19).
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 90554937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).