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

C13H22N2O — CID 107193091

IUPAC1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCC1CCCC1C(O)CCc1cnn(C)c1
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-12(10)13(16)7-6-11-8-14-15(2)9-11/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyVHUVRSPEJIMWTN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds4

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

1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 107193091) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID107193091
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCC1CCCC1C(O)CCc1cnn(C)c1
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-12(10)13(16)7-6-11-8-14-15(2)9-11/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyVHUVRSPEJIMWTN-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.15
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
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107191671
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192051
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 107193091) is 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is CC1CCCC1C(O)CCc1cnn(C)c1.
What is the InChIKey of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is VHUVRSPEJIMWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-4-3-5-12(10)13(16)7-6-11-8-14-15(2)9-11/h8-10,12-13,16H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 107193091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).