N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

C20H25F3N6O2 — CID 59580027

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C20H25F3N6O2/c21-20(22,23)16-15(13-29(27-16)18-24-7-4-8-25-18)17(30)26-14-19(5-2-1-3-6-19)28-9-11-31-12-10-28/h4,7-8,13H,1-3,5-6,9-12,14H2,(H,26,30)
InChIKeyFOKONAGVPSCQDJ-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.45
Rot. Bonds5

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59580027) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59580027
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C20H25F3N6O2/c21-20(22,23)16-15(13-29(27-16)18-24-7-4-8-25-18)17(30)26-14-19(5-2-1-3-6-19)28-9-11-31-12-10-28/h4,7-8,13H,1-3,5-6,9-12,14H2,(H,26,30)
InChIKeyFOKONAGVPSCQDJ-UHFFFAOYSA-N
XLogP2.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 59580027) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ncccn2)nc1C(F)(F)F.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FOKONAGVPSCQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c21-20(22,23)16-15(13-29(27-16)18-24-7-4-8-25-18)17(30)26-14-19(5-2-1-3-6-19)28-9-11-31-12-10-28/h4,7-8,13H,1-3,5-6,9-12,14H2,(H,26,30).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59580027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).