1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide

C17H19F3N4O — CID 138028984

IUPAC1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccnc2)cc1C(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C17H19F3N4O/c1-24-14(10-13(23-24)12-6-5-9-21-11-12)15(25)22-16(17(18,19)20)7-3-2-4-8-16/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,25)
InChIKeyRBVJVOGGGWOWOS-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.48
Rot. Bonds3

About 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide

1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide (PubChem CID 138028984) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide
PubChem CID138028984
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccnc2)cc1C(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C17H19F3N4O/c1-24-14(10-13(23-24)12-6-5-9-21-11-12)15(25)22-16(17(18,19)20)7-3-2-4-8-16/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,25)
InChIKeyRBVJVOGGGWOWOS-UHFFFAOYSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide (CID 138028984) is 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide is Cn1nc(-c2cccnc2)cc1C(=O)NC1(C(F)(F)F)CCCCC1.
What is the InChIKey of 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is RBVJVOGGGWOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-24-14(10-13(23-24)12-6-5-9-21-11-12)15(25)22-16(17(18,19)20)7-3-2-4-8-16/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,25).
What are the key properties of 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide?
1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-3-yl-N-[1-(trifluoromethyl)cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 138028984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).