2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C15H19F2N5O — CID 19452163

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccn(C)n1)C(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C15H19F2N5O/c1-20(8-11-5-6-21(2)18-11)14(23)9-22-13(10-3-4-10)7-12(19-22)15(16)17/h5-7,10,15H,3-4,8-9H2,1-2H3
InChIKeyOXNHPISVANQKLE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.09
Rot. Bonds6

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19452163) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19452163
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccn(C)n1)C(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C15H19F2N5O/c1-20(8-11-5-6-21(2)18-11)14(23)9-22-13(10-3-4-10)7-12(19-22)15(16)17/h5-7,10,15H,3-4,8-9H2,1-2H3
InChIKeyOXNHPISVANQKLE-UHFFFAOYSA-N
XLogP2.09
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19452163) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide is CN(Cc1ccn(C)n1)C(=O)Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OXNHPISVANQKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-20(8-11-5-6-21(2)18-11)14(23)9-22-13(10-3-4-10)7-12(19-22)15(16)17/h5-7,10,15H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 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-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19452163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).