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

C14H17N3O — CID 139318660

IUPAC2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
SMILESCc1cccc(-c2cc(NC(=O)C(C)C)n[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-9(2)14(18)15-13-8-12(16-17-13)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyOXGBDGGYNFPPIO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.98
Rot. Bonds3

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

2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 139318660) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
PubChem CID139318660
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
SMILESCc1cccc(-c2cc(NC(=O)C(C)C)n[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-9(2)14(18)15-13-8-12(16-17-13)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyOXGBDGGYNFPPIO-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
CID 71934897
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 90913079
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 11429435
2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029352
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
CID 139606187
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide (CID 139318660) is 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide is Cc1cccc(-c2cc(NC(=O)C(C)C)n[nH]2)c1.
What is the InChIKey of 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is OXGBDGGYNFPPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)14(18)15-13-8-12(16-17-13)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide?
2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 139318660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).