4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

C14H18N4O — CID 61166353

IUPAC4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O/c15-8-3-7-14(19)16-11-12-5-1-2-6-13(12)18-10-4-9-17-18/h1-2,4-6,9-10H,3,7-8,11,15H2,(H,16,19)
InChIKeyJDRXCZMZMFCINA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.23
Rot. Bonds6

About 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide (PubChem CID 61166353) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
PubChem CID61166353
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O/c15-8-3-7-14(19)16-11-12-5-1-2-6-13(12)18-10-4-9-17-18/h1-2,4-6,9-10H,3,7-8,11,15H2,(H,16,19)
InChIKeyJDRXCZMZMFCINA-UHFFFAOYSA-N
XLogP1.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
4-(2-pyrazol-1-ylphenyl)butan-1-amine
CID 117307081
2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 136579374
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 56563083

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide (CID 61166353) is 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide is NCCCC(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The InChIKey is JDRXCZMZMFCINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-3-7-14(19)16-11-12-5-1-2-6-13(12)18-10-4-9-17-18/h1-2,4-6,9-10H,3,7-8,11,15H2,(H,16,19).
What are the key properties of 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 61166353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).