[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol

C15H18Cl2N2O — CID 82697288

IUPAC[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2ccc(Cl)cc2Cl)c(CC)c1CO
InChIInChI=1S/C15H18Cl2N2O/c1-3-14-12(9-20)15(4-2)19(18-14)8-10-5-6-11(16)7-13(10)17/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyMFPVHKCXCKWKEB-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.86
Rot. Bonds5

About [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol

[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 82697288) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID82697288
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2ccc(Cl)cc2Cl)c(CC)c1CO
InChIInChI=1S/C15H18Cl2N2O/c1-3-14-12(9-20)15(4-2)19(18-14)8-10-5-6-11(16)7-13(10)17/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyMFPVHKCXCKWKEB-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 115984308
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82698157
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 79223129

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (CID 82697288) is [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(Cc2ccc(Cl)cc2Cl)c(CC)c1CO.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is MFPVHKCXCKWKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-3-14-12(9-20)15(4-2)19(18-14)8-10-5-6-11(16)7-13(10)17/h5-7,20H,3-4,8-9H2,1-2H3.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 313.23 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 82697288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).