N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide

C8H13N3O — CID 171550481

IUPACN-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCNC(=O)CCc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(11-10-6)3-4-8(12)9-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyYNDDUCVDQQUZOD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds3

About N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide

N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 171550481) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID171550481
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCNC(=O)CCc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(11-10-6)3-4-8(12)9-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyYNDDUCVDQQUZOD-UHFFFAOYSA-N
XLogP0.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550672
4-(5-methyl-1H-pyrazol-3-yl)butan-2-one
CID 82417105
N-methyl-3-(5-methyl-2-pyridinyl)propanamide
CID 15133713
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
N-[2-(methylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 120827526
N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264954
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 171515765
3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
CID 110836645
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 58166088
1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 171550481) is N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide is CNC(=O)CCc1cc(C)[nH]n1.
What is the InChIKey of N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is YNDDUCVDQQUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-5-7(11-10-6)3-4-8(12)9-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide?
N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 171550481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).