2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

C14H17F2N5O — CID 19346137

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C14H17F2N5O/c1-8-11(6-20(2)18-8)17-13(22)7-21-12(9-3-4-9)5-10(19-21)14(15)16/h5-6,9,14H,3-4,7H2,1-2H3,(H,17,22)
InChIKeyJNNUIQTYOXTPEY-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.38
Rot. Bonds5

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 19346137) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID19346137
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C14H17F2N5O/c1-8-11(6-20(2)18-8)17-13(22)7-21-12(9-3-4-9)5-10(19-21)14(15)16/h5-6,9,14H,3-4,7H2,1-2H3,(H,17,22)
InChIKeyJNNUIQTYOXTPEY-UHFFFAOYSA-N
XLogP2.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770840
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)butanamide
CID 72894076
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 843910
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 4116900
4-bromo-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylpyrazole-5-carboxamide
CID 4770778
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 843717
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 19346137) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is JNNUIQTYOXTPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c1-8-11(6-20(2)18-8)17-13(22)7-21-12(9-3-4-9)5-10(19-21)14(15)16/h5-6,9,14H,3-4,7H2,1-2H3,(H,17,22).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 19346137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).