[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol

C13H19ClF2N2O2 — CID 105132647

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19ClF2N2O2/c1-20-7-6-18-11(10(14)8-17-18)12(19)9-2-4-13(15,16)5-3-9/h8-9,12,19H,2-7H2,1H3
InChIKeyNNXHJTCWKDSLKD-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.04
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol (PubChem CID 105132647) has the molecular formula C13H19ClF2N2O2 and a molecular weight of 308.76 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol
PubChem CID105132647
Molecular FormulaC13H19ClF2N2O2
Molecular Weight308.76 g/mol
Exact Mass308.11
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19ClF2N2O2/c1-20-7-6-18-11(10(14)8-17-18)12(19)9-2-4-13(15,16)5-3-9/h8-9,12,19H,2-7H2,1H3
InChIKeyNNXHJTCWKDSLKD-UHFFFAOYSA-N
XLogP3.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol (CID 105132647) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol is COCCn1ncc(Cl)c1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol?
The InChIKey is NNXHJTCWKDSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF2N2O2/c1-20-7-6-18-11(10(14)8-17-18)12(19)9-2-4-13(15,16)5-3-9/h8-9,12,19H,2-7H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol has a molecular weight of 308.76 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 105132647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).