(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol

C13H13Cl2FN2O — CID 114638648

IUPAC(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H13Cl2FN2O/c1-2-3-18-12(11(15)7-17-18)13(19)8-4-9(14)6-10(16)5-8/h4-7,13,19H,2-3H2,1H3
InChIKeyQCNPZZCWXDDQLF-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.82
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol

(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (PubChem CID 114638648) has the molecular formula C13H13Cl2FN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
PubChem CID114638648
Molecular FormulaC13H13Cl2FN2O
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H13Cl2FN2O/c1-2-3-18-12(11(15)7-17-18)13(19)8-4-9(14)6-10(16)5-8/h4-7,13,19H,2-3H2,1H3
InChIKeyQCNPZZCWXDDQLF-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (CID 114638648) is (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Cl)c1C(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The InChIKey is QCNPZZCWXDDQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN2O/c1-2-3-18-12(11(15)7-17-18)13(19)8-4-9(14)6-10(16)5-8/h4-7,13,19H,2-3H2,1H3.
What are the key properties of (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol has a molecular weight of 303.16 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114638648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).