3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide

C10H14ClN3O — CID 19570325

IUPAC3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)NC1CC1
InChIInChI=1S/C10H14ClN3O/c1-7(10(15)13-9-2-3-9)5-14-6-8(11)4-12-14/h4,6-7,9H,2-3,5H2,1H3,(H,13,15)
InChIKeyHQJXQIBKDTZTLI-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.45
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide

3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide (PubChem CID 19570325) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
PubChem CID19570325
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)NC1CC1
InChIInChI=1S/C10H14ClN3O/c1-7(10(15)13-9-2-3-9)5-14-6-8(11)4-12-14/h4,6-7,9H,2-3,5H2,1H3,(H,13,15)
InChIKeyHQJXQIBKDTZTLI-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 51392006
3-(4-chloropyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 56725947
3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
CID 75098455
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 19570403
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 39891762
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19570486
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 39854346
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
(6R,7S)-3-(acetyloxymethyl)-7-[[(2R)-3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 51473456

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide (CID 19570325) is 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide is CC(Cn1cc(Cl)cn1)C(=O)NC1CC1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide?
The InChIKey is HQJXQIBKDTZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(10(15)13-9-2-3-9)5-14-6-8(11)4-12-14/h4,6-7,9H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide?
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 19570325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).