2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide

C8H13N3O — CID 60735981

IUPAC2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)8(12)9-3-7-4-10-11-5-7/h4-6H,3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyIEACYXPDCSLDRO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide

2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 60735981) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID60735981
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)8(12)9-3-7-4-10-11-5-7/h4-6H,3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyIEACYXPDCSLDRO-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 60735981) is 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide is CC(C)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is IEACYXPDCSLDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)8(12)9-3-7-4-10-11-5-7/h4-6H,3H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 60735981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).