1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol

C21H25FN4O — CID 164718996

IUPAC1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2C(C)O)n1
InChIInChI=1S/C21H25FN4O/c1-13-8-19(9-17-12-25(24-14(17)2)11-16-4-5-16)26(23-13)21-7-6-18(22)10-20(21)15(3)27/h6-8,10,12,15-16,27H,4-5,9,11H2,1-3H3
InChIKeyPTWAFJXSRXPRLT-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.88
Rot. Bonds6

About 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol

1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164718996) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164718996
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2C(C)O)n1
InChIInChI=1S/C21H25FN4O/c1-13-8-19(9-17-12-25(24-14(17)2)11-16-4-5-16)26(23-13)21-7-6-18(22)10-20(21)15(3)27/h6-8,10,12,15-16,27H,4-5,9,11H2,1-3H3
InChIKeyPTWAFJXSRXPRLT-UHFFFAOYSA-N
XLogP3.88
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164718996) is 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol is Cc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2C(C)O)n1.
What is the InChIKey of 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is PTWAFJXSRXPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13-8-19(9-17-12-25(24-14(17)2)11-16-4-5-16)26(23-13)21-7-6-18(22)10-20(21)15(3)27/h6-8,10,12,15-16,27H,4-5,9,11H2,1-3H3.
What are the key properties of 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 368.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).