2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C10H17N3O — CID 62677107

IUPAC2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c1-4-10(2,3)9(14)11-5-8-6-12-13-7-8/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyHXKWJGWDZLGKGP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.46
Rot. Bonds4

About 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide

2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 62677107) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID62677107
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c1-4-10(2,3)9(14)11-5-8-6-12-13-7-8/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyHXKWJGWDZLGKGP-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79257175
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
2-methyl-2-[4-(1H-pyrazol-4-ylmethylamino)phenyl]propanoic acid
CID 166253327
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 62677107) is 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide is CCC(C)(C)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is HXKWJGWDZLGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(2,3)9(14)11-5-8-6-12-13-7-8/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 195.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 62677107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).