N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide

C15H20N4O — CID 79524022

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cnn(C)c1N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-13(11-7-5-4-6-8-11)15(20)17-9-12-10-18-19(2)14(12)16/h4-8,10,13H,3,9,16H2,1-2H3,(H,17,20)
InChIKeySJCAIDRWCYMSSO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.81
Rot. Bonds5

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide (PubChem CID 79524022) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
PubChem CID79524022
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cnn(C)c1N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-13(11-7-5-4-6-8-11)15(20)17-9-12-10-18-19(2)14(12)16/h4-8,10,13H,3,9,16H2,1-2H3,(H,17,20)
InChIKeySJCAIDRWCYMSSO-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 79524033
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
CID 79523783
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
CID 99716294
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
(2-phenylbutanoylamino)urea
CID 63946462

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide (CID 79524022) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide is CCC(C(=O)NCc1cnn(C)c1N)c1ccccc1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide?
The InChIKey is SJCAIDRWCYMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13(11-7-5-4-6-8-11)15(20)17-9-12-10-18-19(2)14(12)16/h4-8,10,13H,3,9,16H2,1-2H3,(H,17,20).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 79524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).