3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide

C15H20N4O — CID 119813507

IUPAC3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
SMILESCc1ccccc1-c1cc(NC(=O)CC(C)N)n(C)n1
InChIInChI=1S/C15H20N4O/c1-10-6-4-5-7-12(10)13-9-14(19(3)18-13)17-15(20)8-11(2)16/h4-7,9,11H,8,16H2,1-3H3,(H,17,20)
InChIKeyLZMDBVZZEBKHAD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds4

About 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide

3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide (PubChem CID 119813507) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
PubChem CID119813507
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
SMILESCc1ccccc1-c1cc(NC(=O)CC(C)N)n(C)n1
InChIInChI=1S/C15H20N4O/c1-10-6-4-5-7-12(10)13-9-14(19(3)18-13)17-15(20)8-11(2)16/h4-7,9,11H,8,16H2,1-3H3,(H,17,20)
InChIKeyLZMDBVZZEBKHAD-UHFFFAOYSA-N
XLogP2.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
CID 120606517
(2S)-2-methoxy-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 96521758
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride
CID 120587927
1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
CID 95935310
ethyl 2-[[3-(2-chlorophenyl)-1-methylpyrazol-5-yl]amino]-3-methylbutanoate
CID 134116957
N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
CID 122149755
N-[1-[[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 167797494
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
CID 99817337
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
The IUPAC name of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide (CID 119813507) is 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide is Cc1ccccc1-c1cc(NC(=O)CC(C)N)n(C)n1.
What is the InChIKey of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
The InChIKey is LZMDBVZZEBKHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-6-4-5-7-12(10)13-9-14(19(3)18-13)17-15(20)8-11(2)16/h4-7,9,11H,8,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide is sourced from PubChem (CID 119813507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).