(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol

C13H13Cl3N2O — CID 114635404

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl3N2O/c1-2-3-18-12(11(16)7-17-18)13(19)8-4-9(14)6-10(15)5-8/h4-7,13,19H,2-3H2,1H3
InChIKeyKNRDHIUKIINJPU-UHFFFAOYSA-N
MW319.62 g/mol
LogP4.34
Rot. Bonds4

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

(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol (PubChem CID 114635404) has the molecular formula C13H13Cl3N2O and a molecular weight of 319.62 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
PubChem CID114635404
Molecular FormulaC13H13Cl3N2O
Molecular Weight319.62 g/mol
Exact Mass318.01
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl3N2O/c1-2-3-18-12(11(16)7-17-18)13(19)8-4-9(14)6-10(15)5-8/h4-7,13,19H,2-3H2,1H3
InChIKeyKNRDHIUKIINJPU-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(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)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol (CID 114635404) is (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol is CCCn1ncc(Cl)c1C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol?
The InChIKey is KNRDHIUKIINJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2O/c1-2-3-18-12(11(16)7-17-18)13(19)8-4-9(14)6-10(15)5-8/h4-7,13,19H,2-3H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol has a molecular weight of 319.62 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol is sourced from PubChem (CID 114635404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).