(4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol

C13H19BrF2N2O — CID 105128041

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19BrF2N2O/c1-2-7-18-11(10(14)8-17-18)12(19)9-3-5-13(15,16)6-4-9/h8-9,12,19H,2-7H2,1H3
InChIKeyCAMHQYNHYXFHRO-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.91
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 105128041) has the molecular formula C13H19BrF2N2O and a molecular weight of 337.21 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
PubChem CID105128041
Molecular FormulaC13H19BrF2N2O
Molecular Weight337.21 g/mol
Exact Mass336.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19BrF2N2O/c1-2-7-18-11(10(14)8-17-18)12(19)9-3-5-13(15,16)6-4-9/h8-9,12,19H,2-7H2,1H3
InChIKeyCAMHQYNHYXFHRO-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol (CID 105128041) is (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol is CCCn1ncc(Br)c1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is CAMHQYNHYXFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrF2N2O/c1-2-7-18-11(10(14)8-17-18)12(19)9-3-5-13(15,16)6-4-9/h8-9,12,19H,2-7H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 337.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 105128041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).