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

C10H17N3O — CID 43399085

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide
SMILESCc1n[nH]c(C)c1NC(=O)CC(C)C
InChIInChI=1S/C10H17N3O/c1-6(2)5-9(14)11-10-7(3)12-13-8(10)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyVPOLIGBETLVMDP-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.01
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide (PubChem CID 43399085) 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)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide
PubChem CID43399085
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide
SMILESCc1n[nH]c(C)c1NC(=O)CC(C)C
InChIInChI=1S/C10H17N3O/c1-6(2)5-9(14)11-10-7(3)12-13-8(10)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyVPOLIGBETLVMDP-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide (CID 43399085) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide is Cc1n[nH]c(C)c1NC(=O)CC(C)C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide?
The InChIKey is VPOLIGBETLVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)5-9(14)11-10-7(3)12-13-8(10)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)-3-methylbutanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-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)-3-methylbutanamide is sourced from PubChem (CID 43399085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).