[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol

C13H12Cl2N2O — CID 138471189

IUPAC[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(C2CC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-8-2-1-3-9(15)11(8)12-10(6-18)16-17-13(12)7-4-5-7/h1-3,7,18H,4-6H2,(H,16,17)
InChIKeyGUFVJPDYGFSSAH-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.75
Rot. Bonds3

About [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol

[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol (PubChem CID 138471189) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol
PubChem CID138471189
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(C2CC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-8-2-1-3-9(15)11(8)12-10(6-18)16-17-13(12)7-4-5-7/h1-3,7,18H,4-6H2,(H,16,17)
InChIKeyGUFVJPDYGFSSAH-UHFFFAOYSA-N
XLogP3.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
[4-[(2,6-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-yl]methanol
CID 172433472
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
4-Phenyl-1H-pyrazole-3,5-dimethanol
CID 3616748
1-[3-(5-amino-2,4-dichlorophenyl)-4-chloro-1H-pyrazol-5-yl]-2,2-difluoroethanol
CID 57162197
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 122454551
[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methanol
CID 156339552
1-(4-chloro-2,6-difluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174646284
1-(2-chloro-4,6-difluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174657968
1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
CID 174693083
1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol
CID 174840562

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol (CID 138471189) is [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol is OCc1[nH]nc(C2CC2)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is GUFVJPDYGFSSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-8-2-1-3-9(15)11(8)12-10(6-18)16-17-13(12)7-4-5-7/h1-3,7,18H,4-6H2,(H,16,17).
What are the key properties of [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol?
[3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 283.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-4-(2,6-dichlorophenyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 138471189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).