2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C21H31FN4O — CID 45229082

IUPAC2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)C(CCO)C1
InChIInChI=1S/C21H31FN4O/c1-15(2)25-11-10-24(13-20(25)9-12-27)14-21-16(3)23-26(17(21)4)19-7-5-18(22)6-8-19/h5-8,15,20,27H,9-14H2,1-4H3
InChIKeyIQUWILPSKDPGRH-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 45229082) has the molecular formula C21H31FN4O and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID45229082
Molecular FormulaC21H31FN4O
Molecular Weight374.50 g/mol
Exact Mass374.25
IUPAC Name2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)C(CCO)C1
InChIInChI=1S/C21H31FN4O/c1-15(2)25-11-10-24(13-20(25)9-12-27)14-21-16(3)23-26(17(21)4)19-7-5-18(22)6-8-19/h5-8,15,20,27H,9-14H2,1-4H3
InChIKeyIQUWILPSKDPGRH-UHFFFAOYSA-N
XLogP2.91
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 45229082) is 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)C(CCO)C1.
What is the InChIKey of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is IQUWILPSKDPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O/c1-15(2)25-11-10-24(13-20(25)9-12-27)14-21-16(3)23-26(17(21)4)19-7-5-18(22)6-8-19/h5-8,15,20,27H,9-14H2,1-4H3.
What are the key properties of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 374.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45229082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).