3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide

C15H20N4O — CID 64677992

IUPAC3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESCC(C)(N)CC(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,16)9-14(20)17-10-11-3-5-12(6-4-11)13-7-8-18-19-13/h3-8H,9-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyCSLFKRYPMUSQRT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds5

About 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide

3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (PubChem CID 64677992) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
PubChem CID64677992
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESCC(C)(N)CC(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,16)9-14(20)17-10-11-3-5-12(6-4-11)13-7-8-18-19-13/h3-8H,9-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyCSLFKRYPMUSQRT-UHFFFAOYSA-N
XLogP1.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
CID 47057073
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
CID 71731035
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
CID 154774741
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (CID 64677992) is 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is CC(C)(N)CC(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The InChIKey is CSLFKRYPMUSQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,16)9-14(20)17-10-11-3-5-12(6-4-11)13-7-8-18-19-13/h3-8H,9-10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 64677992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).