2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol

C16H20ClFN2O — CID 66059067

IUPAC2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
SMILESCCn1nc(C)c(Cl)c1CC(CO)Cc1cccc(F)c1
InChIInChI=1S/C16H20ClFN2O/c1-3-20-15(16(17)11(2)19-20)9-13(10-21)7-12-5-4-6-14(18)8-12/h4-6,8,13,21H,3,7,9-10H2,1-2H3
InChIKeyPOVRGFFPSVKRAE-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.40
Rot. Bonds6

About 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol

2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol (PubChem CID 66059067) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
PubChem CID66059067
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
SMILESCCn1nc(C)c(Cl)c1CC(CO)Cc1cccc(F)c1
InChIInChI=1S/C16H20ClFN2O/c1-3-20-15(16(17)11(2)19-20)9-13(10-21)7-12-5-4-6-14(18)8-12/h4-6,8,13,21H,3,7,9-10H2,1-2H3
InChIKeyPOVRGFFPSVKRAE-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 66050315
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79431173
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66042322
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
5-[3-bromo-2-(3-fluorophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 79432479
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330
4-chloro-5-[2-(chloromethyl)-3-(4-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 66035055
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66057604
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 79516829
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81270097

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol (CID 66059067) is 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol is CCn1nc(C)c(Cl)c1CC(CO)Cc1cccc(F)c1.
What is the InChIKey of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol?
The InChIKey is POVRGFFPSVKRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c1-3-20-15(16(17)11(2)19-20)9-13(10-21)7-12-5-4-6-14(18)8-12/h4-6,8,13,21H,3,7,9-10H2,1-2H3.
What are the key properties of 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol?
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol has a molecular weight of 310.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66059067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).