1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C16H20N2O — CID 103006443

IUPAC1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2ccccc2C2CC2)cn1
InChIInChI=1S/C16H20N2O/c1-18-11-12(10-17-18)6-9-16(19)15-5-3-2-4-14(15)13-7-8-13/h2-5,10-11,13,16,19H,6-9H2,1H3
InChIKeyRTQHXICDBTTYEY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103006443) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103006443
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2ccccc2C2CC2)cn1
InChIInChI=1S/C16H20N2O/c1-18-11-12(10-17-18)6-9-16(19)15-5-3-2-4-14(15)13-7-8-13/h2-5,10-11,13,16,19H,6-9H2,1H3
InChIKeyRTQHXICDBTTYEY-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
1-(2,3-dihydro-1H-indol-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006799
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 103008373
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
1-(2-cyclopropylphenyl)-2-phenylethanol
CID 79983635
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005951

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103006443) is 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)c2ccccc2C2CC2)cn1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is RTQHXICDBTTYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-11-12(10-17-18)6-9-16(19)15-5-3-2-4-14(15)13-7-8-13/h2-5,10-11,13,16,19H,6-9H2,1H3.
What are the key properties of 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103006443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).