3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide

C12H19ClN4O — CID 63918932

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide
SMILESCNC(Cn1nc(C)c(Cl)c1C)(C(N)=O)C1CC1
InChIInChI=1S/C12H19ClN4O/c1-7-10(13)8(2)17(16-7)6-12(15-3,11(14)18)9-4-5-9/h9,15H,4-6H2,1-3H3,(H2,14,18)
InChIKeyWASZXMXLBBHDDR-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.01
Rot. Bonds5

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide (PubChem CID 63918932) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide
PubChem CID63918932
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide
SMILESCNC(Cn1nc(C)c(Cl)c1C)(C(N)=O)C1CC1
InChIInChI=1S/C12H19ClN4O/c1-7-10(13)8(2)17(16-7)6-12(15-3,11(14)18)9-4-5-9/h9,15H,4-6H2,1-3H3,(H2,14,18)
InChIKeyWASZXMXLBBHDDR-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
CID 71938717
6-[2-(4-Chloro-3,5-dimethylpyrazol-1-yl)acetyl]-6,9-diazaspiro[4.5]decan-10-one
CID 132416184
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 4768572
N-(Tert-butyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4768984
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isopropylpropanamide
CID 4770023
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 4770823
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isobutylpropanamide
CID 4771347
N-(butan-2-yl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4771758
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 19531601
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 4768009
N-(Tert-butyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 17020766
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 19517453

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide (CID 63918932) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide is CNC(Cn1nc(C)c(Cl)c1C)(C(N)=O)C1CC1.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide?
The InChIKey is WASZXMXLBBHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7-10(13)8(2)17(16-7)6-12(15-3,11(14)18)9-4-5-9/h9,15H,4-6H2,1-3H3,(H2,14,18).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide is sourced from PubChem (CID 63918932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).