N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C23H22F3N5O2 — CID 56961707

IUPACN-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCC(O)CC1
InChIInChI=1S/C23H22F3N5O2/c1-13-9-17(11-28-21(13)15-3-6-18(32)7-4-15)30-22(33)19-12-29-31(14(19)2)20-8-5-16(10-27-20)23(24,25)26/h3,5,8-12,18,32H,4,6-7H2,1-2H3,(H,30,33)
InChIKeyRMKOIUGWFNYWMG-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.48
Rot. Bonds4

About N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 56961707) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID56961707
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCC(O)CC1
InChIInChI=1S/C23H22F3N5O2/c1-13-9-17(11-28-21(13)15-3-6-18(32)7-4-15)30-22(33)19-12-29-31(14(19)2)20-8-5-16(10-27-20)23(24,25)26/h3,5,8-12,18,32H,4,6-7H2,1-2H3,(H,30,33)
InChIKeyRMKOIUGWFNYWMG-UHFFFAOYSA-N
XLogP4.48
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

BI-1935
CID 57861407
4-Amino-N-(trans-4-hydroxycyclohexyl)-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 68230695
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
US9586948, Example 18
CID 117872469
US9586948, Example 17
CID 117872492
N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129700
N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129715
N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
5-(hydroxymethyl)-7-[3-(hydroxymethyl)-1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137649656
7-[3-(hydroxymethyl)-1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137658915
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 164611423
N-[2-[(2R,3R)-3-hydroxy-2-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 168269962

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 56961707) is N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCC(O)CC1.
What is the InChIKey of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is RMKOIUGWFNYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-13-9-17(11-28-21(13)15-3-6-18(32)7-4-15)30-22(33)19-12-29-31(14(19)2)20-8-5-16(10-27-20)23(24,25)26/h3,5,8-12,18,32H,4,6-7H2,1-2H3,(H,30,33).
What are the key properties of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56961707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).