2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol

C20H24FN5O — CID 169193040

IUPAC2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol
SMILESCn1nc(Cc2cnn(CC3CC3)c2)c(-c2ccc(F)cc2C(C)(C)O)n1
InChIInChI=1S/C20H24FN5O/c1-20(2,27)17-9-15(21)6-7-16(17)19-18(23-25(3)24-19)8-14-10-22-26(12-14)11-13-4-5-13/h6-7,9-10,12-13,27H,4-5,8,11H2,1-3H3
InChIKeyOSDAEPFMKYPFME-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.05
Rot. Bonds6

About 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol

2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol (PubChem CID 169193040) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol
PubChem CID169193040
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol
SMILESCn1nc(Cc2cnn(CC3CC3)c2)c(-c2ccc(F)cc2C(C)(C)O)n1
InChIInChI=1S/C20H24FN5O/c1-20(2,27)17-9-15(21)6-7-16(17)19-18(23-25(3)24-19)8-14-10-22-26(12-14)11-13-4-5-13/h6-7,9-10,12-13,27H,4-5,8,11H2,1-3H3
InChIKeyOSDAEPFMKYPFME-UHFFFAOYSA-N
XLogP3.05
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol (CID 169193040) is 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol is Cn1nc(Cc2cnn(CC3CC3)c2)c(-c2ccc(F)cc2C(C)(C)O)n1.
What is the InChIKey of 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol?
The InChIKey is OSDAEPFMKYPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-20(2,27)17-9-15(21)6-7-16(17)19-18(23-25(3)24-19)8-14-10-22-26(12-14)11-13-4-5-13/h6-7,9-10,12-13,27H,4-5,8,11H2,1-3H3.
What are the key properties of 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol?
2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol has a molecular weight of 369.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]propan-2-ol is sourced from PubChem (CID 169193040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).