3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide

C11H19N3O — CID 63822309

IUPAC3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(CC(=O)Nc1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-8(11(2,3)4)5-10(15)14-9-6-12-13-7-9/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWKEGBHUPQLKZSO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.42
Rot. Bonds3

About 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide

3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide (PubChem CID 63822309) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
PubChem CID63822309
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(CC(=O)Nc1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-8(11(2,3)4)5-10(15)14-9-6-12-13-7-9/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWKEGBHUPQLKZSO-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
CID 43540485
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
CID 103789664
3-chloro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 63680356
3-amino-2,2,3-trimethyl-N-(1H-pyrazol-4-yl)butanamide
CID 65264992
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540260
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
2-(1-hydroxycyclopentyl)-N-(1H-pyrazol-4-yl)acetamide
CID 111430521
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
CID 56825627
1H-pyrazol-4-ylcarbamic acid
CID 66846919

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide (CID 63822309) is 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide is CC(CC(=O)Nc1cn[nH]c1)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
The InChIKey is WKEGBHUPQLKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(11(2,3)4)5-10(15)14-9-6-12-13-7-9/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide has a molecular weight of 209.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 63822309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).