N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H13F3N4O2 — CID 31910527

IUPACN-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O2/c1-26-12-6-4-5-11(9-12)23-16(25)13-10-22-24(15(13)17(18,19)20)14-7-2-3-8-21-14/h2-10H,1H3,(H,23,25)
InChIKeyYTERITOOVNCKGH-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.55
Rot. Bonds4

About N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 31910527) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID31910527
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O2/c1-26-12-6-4-5-11(9-12)23-16(25)13-10-22-24(15(13)17(18,19)20)14-7-2-3-8-21-14/h2-10H,1H3,(H,23,25)
InChIKeyYTERITOOVNCKGH-UHFFFAOYSA-N
XLogP3.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 31910527) is N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YTERITOOVNCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-26-12-6-4-5-11(9-12)23-16(25)13-10-22-24(15(13)17(18,19)20)14-7-2-3-8-21-14/h2-10H,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 31910527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).