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

C19H24F3N3O — CID 66778991

IUPACcyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H24F3N3O/c1-2-6-16-15(18(26)13-7-4-3-5-8-13)12-25(24-16)17-10-9-14(11-23-17)19(20,21)22/h9-13,18,26H,2-8H2,1H3
InChIKeyHJZGETCGTVNCSP-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.85
Rot. Bonds5

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

cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 66778991) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID66778991
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Namecyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H24F3N3O/c1-2-6-16-15(18(26)13-7-4-3-5-8-13)12-25(24-16)17-10-9-14(11-23-17)19(20,21)22/h9-13,18,26H,2-8H2,1H3
InChIKeyHJZGETCGTVNCSP-UHFFFAOYSA-N
XLogP4.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 66778991) is cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is HJZGETCGTVNCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-2-6-16-15(18(26)13-7-4-3-5-8-13)12-25(24-16)17-10-9-14(11-23-17)19(20,21)22/h9-13,18,26H,2-8H2,1H3.
What are the key properties of cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 367.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66778991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).