1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

C20H17F2N5OS — CID 56555612

IUPAC1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4F)c3C)n[nH]2)s1
InChIInChI=1S/C20H17F2N5OS/c1-10-4-7-17(29-10)15-9-18(25-24-15)23-20(28)19-11(2)26-27(12(19)3)16-6-5-13(21)8-14(16)22/h4-9H,1-3H3,(H2,23,24,25,28)
InChIKeyGBEMQKKHWFEPAI-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.78
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 56555612) has the molecular formula C20H17F2N5OS and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID56555612
Molecular FormulaC20H17F2N5OS
Molecular Weight413.45 g/mol
Exact Mass413.11
IUPAC Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4F)c3C)n[nH]2)s1
InChIInChI=1S/C20H17F2N5OS/c1-10-4-7-17(29-10)15-9-18(25-24-15)23-20(28)19-11(2)26-27(12(19)3)16-6-5-13(21)8-14(16)22/h4-9H,1-3H3,(H2,23,24,25,28)
InChIKeyGBEMQKKHWFEPAI-UHFFFAOYSA-N
XLogP4.78
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide 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 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (CID 56555612) is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is Cc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4F)c3C)n[nH]2)s1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is GBEMQKKHWFEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5OS/c1-10-4-7-17(29-10)15-9-18(25-24-15)23-20(28)19-11(2)26-27(12(19)3)16-6-5-13(21)8-14(16)22/h4-9H,1-3H3,(H2,23,24,25,28).
What are the key properties of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 56555612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).