N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide

C17H17F2N5O — CID 843406

IUPACN-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C17H17F2N5O/c1-11-15(12(2)24(21-11)17(18)19)16(25)20-14-8-9-23(22-14)10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H,20,22,25)
InChIKeyBJHHAOSEXMHHJV-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.39
Rot. Bonds5

About N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide

N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 843406) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID843406
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC NameN-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C17H17F2N5O/c1-11-15(12(2)24(21-11)17(18)19)16(25)20-14-8-9-23(22-14)10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H,20,22,25)
InChIKeyBJHHAOSEXMHHJV-UHFFFAOYSA-N
XLogP3.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide (CID 843406) is N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(C(F)F)c(C)c1C(=O)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is BJHHAOSEXMHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-11-15(12(2)24(21-11)17(18)19)16(25)20-14-8-9-23(22-14)10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H,20,22,25).
What are the key properties of N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 843406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).