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

C9H15N3O — CID 20784773

IUPAC3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-9(2,3)4-8(13)12-7-5-10-11-6-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyNDQBDVBBMVSHAN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.78
Rot. Bonds2

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

3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 20784773) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID20784773
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-9(2,3)4-8(13)12-7-5-10-11-6-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyNDQBDVBBMVSHAN-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide (CID 20784773) is 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide is CC(C)(C)CC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is NDQBDVBBMVSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)4-8(13)12-7-5-10-11-6-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 20784773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).