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

C14H18N4O — CID 119340679

IUPAC3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
SMILESCc1ccccc1-c1cc(NC(=O)CCN)n(C)n1
InChIInChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)12-9-13(18(2)17-12)16-14(19)7-8-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKeyLTHOXBKKISLVMA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.68
Rot. Bonds4

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

3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide (PubChem CID 119340679) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
PubChem CID119340679
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
SMILESCc1ccccc1-c1cc(NC(=O)CCN)n(C)n1
InChIInChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)12-9-13(18(2)17-12)16-14(19)7-8-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKeyLTHOXBKKISLVMA-UHFFFAOYSA-N
XLogP1.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
CID 119813507
(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-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]pent-4-enamide
CID 110928314
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
CID 95935310
N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
CID 122149755
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
CID 99817337
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride
CID 120587927
N-[1-[[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 167797494
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide (CID 119340679) is 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide is Cc1ccccc1-c1cc(NC(=O)CCN)n(C)n1.
What is the InChIKey of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide?
The InChIKey is LTHOXBKKISLVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)12-9-13(18(2)17-12)16-14(19)7-8-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide?
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.68, 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]propanamide is sourced from PubChem (CID 119340679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).