2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol

C12H20N2O — CID 79333881

IUPAC2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
SMILESCCCC1CC1(O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H20N2O/c1-5-6-10-7-12(10,15)11-8(2)13-14(4)9(11)3/h10,15H,5-7H2,1-4H3
InChIKeyIJNMFIAUWNYYKH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.04
Rot. Bonds3

About 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol

2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol (PubChem CID 79333881) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
PubChem CID79333881
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
SMILESCCCC1CC1(O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H20N2O/c1-5-6-10-7-12(10,15)11-8(2)13-14(4)9(11)3/h10,15H,5-7H2,1-4H3
InChIKeyIJNMFIAUWNYYKH-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
The IUPAC name of 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol (CID 79333881) is 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol is CCCC1CC1(O)c1c(C)nn(C)c1C.
What is the InChIKey of 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
The InChIKey is IJNMFIAUWNYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-6-10-7-12(10,15)11-8(2)13-14(4)9(11)3/h10,15H,5-7H2,1-4H3.
What are the key properties of 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 79333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).