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

C15H17F3N6O — CID 171130978

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1nn(C)c(F)c1C=NNC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C15H17F3N6O/c1-8-10(15(18)23(2)21-8)6-19-20-13(25)7-24-12(9-3-4-9)5-11(22-24)14(16)17/h5-6,9,14H,3-4,7H2,1-2H3,(H,20,25)
InChIKeyGJRXDOMEEWAEBX-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.03
Rot. Bonds6

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

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 171130978) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID171130978
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1nn(C)c(F)c1C=NNC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C15H17F3N6O/c1-8-10(15(18)23(2)21-8)6-19-20-13(25)7-24-12(9-3-4-9)5-11(22-24)14(16)17/h5-6,9,14H,3-4,7H2,1-2H3,(H,20,25)
InChIKeyGJRXDOMEEWAEBX-UHFFFAOYSA-N
XLogP2.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 119055937
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 119055902
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 124855157
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 171130986
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 124848254
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 19520222
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19402048
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017067
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 19520507
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19520476
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19520306

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide (CID 171130978) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide is Cc1nn(C)c(F)c1C=NNC(=O)Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is GJRXDOMEEWAEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-8-10(15(18)23(2)21-8)6-19-20-13(25)7-24-12(9-3-4-9)5-11(22-24)14(16)17/h5-6,9,14H,3-4,7H2,1-2H3,(H,20,25).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 354.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 171130978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).