(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol

C9H14N2O — CID 163643911

IUPAC(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol
SMILESCc1c(CO)nn(C)c1C1CC1
InChIInChI=1S/C9H14N2O/c1-6-8(5-12)10-11(2)9(6)7-3-4-7/h7,12H,3-5H2,1-2H3
InChIKeyIGPYEGLKVGUSHT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.10
Rot. Bonds2

About (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol

(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol (PubChem CID 163643911) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol
PubChem CID163643911
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol
SMILESCc1c(CO)nn(C)c1C1CC1
InChIInChI=1S/C9H14N2O/c1-6-8(5-12)10-11(2)9(6)7-3-4-7/h7,12H,3-5H2,1-2H3
InChIKeyIGPYEGLKVGUSHT-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol?
The IUPAC name of (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol (CID 163643911) is (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol?
The canonical SMILES for (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol is Cc1c(CO)nn(C)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol?
The InChIKey is IGPYEGLKVGUSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-8(5-12)10-11(2)9(6)7-3-4-7/h7,12H,3-5H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol?
(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol is sourced from PubChem (CID 163643911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).