(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol

C14H16ClFN2O — CID 105119892

IUPAC(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2ccc(Cl)cc2F)n(CC)n1
InChIInChI=1S/C14H16ClFN2O/c1-3-10-8-13(18(4-2)17-10)14(19)11-6-5-9(15)7-12(11)16/h5-8,14,19H,3-4H2,1-2H3
InChIKeyDNSUKGMVIWEMTN-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.34
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol

(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol (PubChem CID 105119892) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
PubChem CID105119892
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2ccc(Cl)cc2F)n(CC)n1
InChIInChI=1S/C14H16ClFN2O/c1-3-10-8-13(18(4-2)17-10)14(19)11-6-5-9(15)7-12(11)16/h5-8,14,19H,3-4H2,1-2H3
InChIKeyDNSUKGMVIWEMTN-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
N-[(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 105173638
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(1,3-diethylpyrazol-5-yl)-quinolin-5-ylmethanol
CID 105118165
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397297
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
CID 105119200
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 106765132
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
CID 105094553
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol (CID 105119892) is (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol is CCc1cc(C(O)c2ccc(Cl)cc2F)n(CC)n1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol?
The InChIKey is DNSUKGMVIWEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-10-8-13(18(4-2)17-10)14(19)11-6-5-9(15)7-12(11)16/h5-8,14,19H,3-4H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol?
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol has a molecular weight of 282.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol is sourced from PubChem (CID 105119892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).