3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide

C13H21N3O — CID 29180484

IUPAC3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCC2CC2)n(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)16-12(8-10(3)15-16)14-13(17)7-6-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,14,17)
InChIKeyOADNDVFTDITFGD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.90
Rot. Bonds5

About 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide

3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 29180484) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID29180484
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCC2CC2)n(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)16-12(8-10(3)15-16)14-13(17)7-6-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,14,17)
InChIKeyOADNDVFTDITFGD-UHFFFAOYSA-N
XLogP2.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752898
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 46988837
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-3-carboxamide
CID 50970124
Cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-1-yl]methanone
CID 136196595
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
CID 155536013
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
CID 89327754
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796011
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796439
N-(3-cyclopentyl-1-methylpyrazol-5-yl)cyclopropanecarboxamide
CID 134796660

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide (CID 29180484) is 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCC2CC2)n(C(C)C)n1.
What is the InChIKey of 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is OADNDVFTDITFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)16-12(8-10(3)15-16)14-13(17)7-6-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide?
3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 29180484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).