3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide

C10H17N3O — CID 114875503

IUPAC3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
SMILESCCC(C)CC(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-3-8(2)6-10(14)11-7-9-4-5-12-13-9/h4-5,8H,3,6-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyWGMBRYGTWDDYMB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.46
Rot. Bonds5

About 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide

3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide (PubChem CID 114875503) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
PubChem CID114875503
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
SMILESCCC(C)CC(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-3-8(2)6-10(14)11-7-9-4-5-12-13-9/h4-5,8H,3,6-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyWGMBRYGTWDDYMB-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
2,2-diethyl-4-oxo-4-(1H-pyrazol-5-ylmethylamino)butanoic acid
CID 61285483
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
CID 43662596
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide (CID 114875503) is 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide is CCC(C)CC(=O)NCc1ccn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The InChIKey is WGMBRYGTWDDYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-8(2)6-10(14)11-7-9-4-5-12-13-9/h4-5,8H,3,6-7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide has a molecular weight of 195.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 114875503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).