1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol

C17H23ClN2O — CID 82700058

IUPAC1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(CC)c1C(O)CC
InChIInChI=1S/C17H23ClN2O/c1-4-14-17(16(21)6-3)15(5-2)20(19-14)11-12-7-9-13(18)10-8-12/h7-10,16,21H,4-6,11H2,1-3H3
InChIKeyQXLVTQQFYVBGPO-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.15
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol

1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol (PubChem CID 82700058) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol
PubChem CID82700058
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(CC)c1C(O)CC
InChIInChI=1S/C17H23ClN2O/c1-4-14-17(16(21)6-3)15(5-2)20(19-14)11-12-7-9-13(18)10-8-12/h7-10,16,21H,4-6,11H2,1-3H3
InChIKeyQXLVTQQFYVBGPO-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
4-(1-chloroethyl)-1-[(3-chloro-4-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 103041277
4-(1-chloropropyl)-3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazole
CID 82699488
1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926065
4-(1-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 107887246
5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
CID 66016298
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 82698387
[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 82699760
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol (CID 82700058) is 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol is CCc1nn(Cc2ccc(Cl)cc2)c(CC)c1C(O)CC.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol?
The InChIKey is QXLVTQQFYVBGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-4-14-17(16(21)6-3)15(5-2)20(19-14)11-12-7-9-13(18)10-8-12/h7-10,16,21H,4-6,11H2,1-3H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol?
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol has a molecular weight of 306.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 82700058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).