3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide

C17H17F2N5O — CID 134704073

IUPAC3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)nn(C)c1NC(=O)c1cc(C(F)F)nn1C
InChIInChI=1S/C17H17F2N5O/c1-10-14(11-7-5-4-6-8-11)22-24(3)16(10)20-17(25)13-9-12(15(18)19)21-23(13)2/h4-9,15H,1-3H3,(H,20,25)
InChIKeyYDIVTHUFMZYOSS-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.32
Rot. Bonds4

About 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide

3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 134704073) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
PubChem CID134704073
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)nn(C)c1NC(=O)c1cc(C(F)F)nn1C
InChIInChI=1S/C17H17F2N5O/c1-10-14(11-7-5-4-6-8-11)22-24(3)16(10)20-17(25)13-9-12(15(18)19)21-23(13)2/h4-9,15H,1-3H3,(H,20,25)
InChIKeyYDIVTHUFMZYOSS-UHFFFAOYSA-N
XLogP3.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide (CID 134704073) is 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide is Cc1c(-c2ccccc2)nn(C)c1NC(=O)c1cc(C(F)F)nn1C.
What is the InChIKey of 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is YDIVTHUFMZYOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-10-14(11-7-5-4-6-8-11)22-24(3)16(10)20-17(25)13-9-12(15(18)19)21-23(13)2/h4-9,15H,1-3H3,(H,20,25).
What are the key properties of 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 134704073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).