2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide

C11H19N3O — CID 62999988

IUPAC2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)n1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-8(2)14-7-9(6-12-14)13-10(15)11(3,4)5/h6-8H,1-5H3,(H,13,15)
InChIKeyNHUUILKPBXOYJK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.45
Rot. Bonds2

About 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide

2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide (PubChem CID 62999988) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
PubChem CID62999988
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)n1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-8(2)14-7-9(6-12-14)13-10(15)11(3,4)5/h6-8H,1-5H3,(H,13,15)
InChIKeyNHUUILKPBXOYJK-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62902672
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618197
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide (CID 62999988) is 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide is CC(C)n1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The InChIKey is NHUUILKPBXOYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-7-9(6-12-14)13-10(15)11(3,4)5/h6-8H,1-5H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 62999988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).