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

C10H16N2O — CID 105105459

IUPACcyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)C1CC1
InChIInChI=1S/C10H16N2O/c1-6-9(7(2)12(3)11-6)10(13)8-4-5-8/h8,10,13H,4-5H2,1-3H3
InChIKeyNDPXTLLDOHJZKC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.48
Rot. Bonds2

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

cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 105105459) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID105105459
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)C1CC1
InChIInChI=1S/C10H16N2O/c1-6-9(7(2)12(3)11-6)10(13)8-4-5-8/h8,10,13H,4-5H2,1-3H3
InChIKeyNDPXTLLDOHJZKC-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 105105459) is cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol is Cc1nn(C)c(C)c1C(O)C1CC1.
What is the InChIKey of cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is NDPXTLLDOHJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-9(7(2)12(3)11-6)10(13)8-4-5-8/h8,10,13H,4-5H2,1-3H3.
What are the key properties of cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol?
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 180.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 105105459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).