N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide

C11H17N3O — CID 134798623

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C11H17N3O/c1-7(2)11(15)12-10-6-9(8-4-5-8)13-14(10)3/h6-8H,4-5H2,1-3H3,(H,12,15)
InChIKeyADVDOUPYNWBQFI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.89
Rot. Bonds3

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide (PubChem CID 134798623) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
PubChem CID134798623
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C11H17N3O/c1-7(2)11(15)12-10-6-9(8-4-5-8)13-14(10)3/h6-8H,4-5H2,1-3H3,(H,12,15)
InChIKeyADVDOUPYNWBQFI-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
3-cyclopropyl-1-methyl-1H-pyrazol-5-amine
CID 2735311
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 135892053
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
US10118930, Example 26
CID 137018653
6-tert-butyl-1H,2H,3H-pyrazolo[1,5-a]imidazol-2-one
CID 135741967

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide (CID 134798623) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
The InChIKey is ADVDOUPYNWBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)11(15)12-10-6-9(8-4-5-8)13-14(10)3/h6-8H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide has a molecular weight of 207.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 134798623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).