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

C19H21FN4O — CID 164718876

IUPAC[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
SMILESCc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2CO)n1
InChIInChI=1S/C19H21FN4O/c1-13-6-18(7-15-9-21-23(11-15)10-14-2-3-14)24(22-13)19-5-4-17(20)8-16(19)12-25/h4-6,8-9,11,14,25H,2-3,7,10,12H2,1H3
InChIKeyXNYKGORVKNIYJV-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.01
Rot. Bonds6

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

[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol (PubChem CID 164718876) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
PubChem CID164718876
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
SMILESCc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2CO)n1
InChIInChI=1S/C19H21FN4O/c1-13-6-18(7-15-9-21-23(11-15)10-14-2-3-14)24(22-13)19-5-4-17(20)8-16(19)12-25/h4-6,8-9,11,14,25H,2-3,7,10,12H2,1H3
InChIKeyXNYKGORVKNIYJV-UHFFFAOYSA-N
XLogP3.01
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol (CID 164718876) is [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol is Cc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2CO)n1.
What is the InChIKey of [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
The InChIKey is XNYKGORVKNIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-6-18(7-15-9-21-23(11-15)10-14-2-3-14)24(22-13)19-5-4-17(20)8-16(19)12-25/h4-6,8-9,11,14,25H,2-3,7,10,12H2,1H3.
What are the key properties of [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol has a molecular weight of 340.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 164718876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).