2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide

C16H21N3O — CID 24684926

IUPAC2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C16H21N3O/c1-3-13(2)16(20)17-11-14-7-4-5-8-15(14)12-19-10-6-9-18-19/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyUNNMYELITQYDSI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds6

About 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide

2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 24684926) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID24684926
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C16H21N3O/c1-3-13(2)16(20)17-11-14-7-4-5-8-15(14)12-19-10-6-9-18-19/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyUNNMYELITQYDSI-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 46684646
1-(2-hydroxy-2,3-dimethylpentyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111120887
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
CID 119759392
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
2-methyl-1-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111126243
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
1-ethyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851028
1-ethyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851027
1,1,2-trimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide (CID 24684926) is 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide is CCC(C)C(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is UNNMYELITQYDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13(2)16(20)17-11-14-7-4-5-8-15(14)12-19-10-6-9-18-19/h4-10,13H,3,11-12H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide?
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 271.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 24684926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).