3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol

C12H20N2O — CID 106590646

IUPAC3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)CCC2CC2)cn1
InChIInChI=1S/C12H20N2O/c1-2-7-14-9-11(8-13-14)12(15)6-5-10-3-4-10/h8-10,12,15H,2-7H2,1H3
InChIKeyXQBGFPYQYYHPES-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.52
Rot. Bonds6

About 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol

3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol (PubChem CID 106590646) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
PubChem CID106590646
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)CCC2CC2)cn1
InChIInChI=1S/C12H20N2O/c1-2-7-14-9-11(8-13-14)12(15)6-5-10-3-4-10/h8-10,12,15H,2-7H2,1H3
InChIKeyXQBGFPYQYYHPES-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103169894
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
[(4-propylcyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105232223
3-cyclopropyl-1-(3-propylimidazol-4-yl)propan-1-ol
CID 106590500
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol (CID 106590646) is 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol is CCCn1cc(C(O)CCC2CC2)cn1.
What is the InChIKey of 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The InChIKey is XQBGFPYQYYHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-7-14-9-11(8-13-14)12(15)6-5-10-3-4-10/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 106590646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).