cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

C19H24F3N3O — CID 66778628

IUPACcyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H24F3N3O/c1-12(2)17-15(18(26)13-6-4-3-5-7-13)11-25(24-17)16-9-8-14(10-23-16)19(20,21)22/h8-13,18,26H,3-7H2,1-2H3
InChIKeyDKMPLNMIWZESBY-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.02
Rot. Bonds4

About cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 66778628) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID66778628
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Namecyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H24F3N3O/c1-12(2)17-15(18(26)13-6-4-3-5-7-13)11-25(24-17)16-9-8-14(10-23-16)19(20,21)22/h8-13,18,26H,3-7H2,1-2H3
InChIKeyDKMPLNMIWZESBY-UHFFFAOYSA-N
XLogP5.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 66778628) is cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is DKMPLNMIWZESBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-12(2)17-15(18(26)13-6-4-3-5-7-13)11-25(24-17)16-9-8-14(10-23-16)19(20,21)22/h8-13,18,26H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 367.42 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66778628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).