N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H12F3N5O — CID 134609832

IUPACN-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3cccc4ccccc34)c2C(F)(F)F)ccn1
InChIInChI=1S/C21H12F3N5O/c22-21(23,24)19-17(20(30)28-14-8-9-26-15(10-14)11-25)12-27-29(19)18-7-3-5-13-4-1-2-6-16(13)18/h1-10,12H,(H,26,28,30)
InChIKeyDUWRGQCQBXGPHA-UHFFFAOYSA-N
MW407.36 g/mol
LogP4.56
Rot. Bonds3

About N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609832) has the molecular formula C21H12F3N5O and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609832
Molecular FormulaC21H12F3N5O
Molecular Weight407.36 g/mol
Exact Mass407.10
IUPAC NameN-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3cccc4ccccc34)c2C(F)(F)F)ccn1
InChIInChI=1S/C21H12F3N5O/c22-21(23,24)19-17(20(30)28-14-8-9-26-15(10-14)11-25)12-27-29(19)18-7-3-5-13-4-1-2-6-16(13)18/h1-10,12H,(H,26,28,30)
InChIKeyDUWRGQCQBXGPHA-UHFFFAOYSA-N
XLogP4.56
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609832) is N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3cccc4ccccc34)c2C(F)(F)F)ccn1.
What is the InChIKey of N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DUWRGQCQBXGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5O/c22-21(23,24)19-17(20(30)28-14-8-9-26-15(10-14)11-25)12-27-29(19)18-7-3-5-13-4-1-2-6-16(13)18/h1-10,12H,(H,26,28,30).
What are the key properties of N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 407.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-pyridinyl)-1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).