N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide

C10H17N3O — CID 43546964

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O/c1-5-6(2)10(14)11-9-7(3)12-13-8(9)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyJKXYCPXWXBKICI-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.01
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide (PubChem CID 43546964) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
PubChem CID43546964
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O/c1-5-6(2)10(14)11-9-7(3)12-13-8(9)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyJKXYCPXWXBKICI-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
CID 54592690
(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
CID 93240679
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
2-cyclopropyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 79506566
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78928166
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1,1-diethylurea
CID 78951288
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
methyl 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoate
CID 66113995
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005421

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide (CID 43546964) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide?
The InChIKey is JKXYCPXWXBKICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-6(2)10(14)11-9-7(3)12-13-8(9)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide has a molecular weight of 195.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide is sourced from PubChem (CID 43546964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).