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

C16H20N2O — CID 103027785

IUPAC3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
SMILESCn1cc(CCC(O)C2CC2c2ccccc2)cn1
InChIInChI=1S/C16H20N2O/c1-18-11-12(10-17-18)7-8-16(19)15-9-14(15)13-5-3-2-4-6-13/h2-6,10-11,14-16,19H,7-9H2,1H3
InChIKeyGSWUMXBVOQZWSK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.52
Rot. Bonds5

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

3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol (PubChem CID 103027785) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
PubChem CID103027785
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
SMILESCn1cc(CCC(O)C2CC2c2ccccc2)cn1
InChIInChI=1S/C16H20N2O/c1-18-11-12(10-17-18)7-8-16(19)15-9-14(15)13-5-3-2-4-6-13/h2-6,10-11,14-16,19H,7-9H2,1H3
InChIKeyGSWUMXBVOQZWSK-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
[2-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105291195
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006443
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol (CID 103027785) is 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol is Cn1cc(CCC(O)C2CC2c2ccccc2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol?
The InChIKey is GSWUMXBVOQZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-11-12(10-17-18)7-8-16(19)15-9-14(15)13-5-3-2-4-6-13/h2-6,10-11,14-16,19H,7-9H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol?
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol is sourced from PubChem (CID 103027785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).