3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

C10H17N3O — CID 60767372

IUPAC3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)CC(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)4-10(14)11-5-9-6-12-13-8(9)3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyDYANZIQSTFRNIA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.38
Rot. Bonds4

About 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (PubChem CID 60767372) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
PubChem CID60767372
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)CC(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)4-10(14)11-5-9-6-12-13-8(9)3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyDYANZIQSTFRNIA-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
CID 61021792
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
2,2-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 65302432
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 95782008
(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 78976359
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
CID 103310272
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (CID 60767372) is 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is Cc1[nH]ncc1CNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The InChIKey is DYANZIQSTFRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)4-10(14)11-5-9-6-12-13-8(9)3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide has a molecular weight of 195.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 60767372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).