(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol

C14H15ClF2N2O2 — CID 114634224

IUPAC(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15ClF2N2O2/c1-2-7-19-12(11(15)8-18-19)13(20)9-3-5-10(6-4-9)21-14(16)17/h3-6,8,13-14,20H,2,7H2,1H3
InChIKeyDBOHANOUGYOGAQ-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.63
Rot. Bonds6

About (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol

(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol (PubChem CID 114634224) has the molecular formula C14H15ClF2N2O2 and a molecular weight of 316.74 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
PubChem CID114634224
Molecular FormulaC14H15ClF2N2O2
Molecular Weight316.74 g/mol
Exact Mass316.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15ClF2N2O2/c1-2-7-19-12(11(15)8-18-19)13(20)9-3-5-10(6-4-9)21-14(16)17/h3-6,8,13-14,20H,2,7H2,1H3
InChIKeyDBOHANOUGYOGAQ-UHFFFAOYSA-N
XLogP3.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(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-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 105129781
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol (CID 114634224) is (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol is CCCn1ncc(Cl)c1C(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol?
The InChIKey is DBOHANOUGYOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O2/c1-2-7-19-12(11(15)8-18-19)13(20)9-3-5-10(6-4-9)21-14(16)17/h3-6,8,13-14,20H,2,7H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol?
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol has a molecular weight of 316.74 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 114634224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).