2-(5-methylpyrazol-1-yl)cycloheptan-1-ol

C11H18N2O — CID 62713574

IUPAC2-(5-methylpyrazol-1-yl)cycloheptan-1-ol
SMILESCc1ccnn1C1CCCCCC1O
InChIInChI=1S/C11H18N2O/c1-9-7-8-12-13(9)10-5-3-2-4-6-11(10)14/h7-8,10-11,14H,2-6H2,1H3
InChIKeyIAWXJRSQFQNKSQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds1

About 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol

2-(5-methylpyrazol-1-yl)cycloheptan-1-ol (PubChem CID 62713574) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)cycloheptan-1-ol
PubChem CID62713574
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(5-methylpyrazol-1-yl)cycloheptan-1-ol
SMILESCc1ccnn1C1CCCCCC1O
InChIInChI=1S/C11H18N2O/c1-9-7-8-12-13(9)10-5-3-2-4-6-11(10)14/h7-8,10-11,14H,2-6H2,1H3
InChIKeyIAWXJRSQFQNKSQ-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol?
The IUPAC name of 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol (CID 62713574) is 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol is Cc1ccnn1C1CCCCCC1O.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol?
The InChIKey is IAWXJRSQFQNKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-7-8-12-13(9)10-5-3-2-4-6-11(10)14/h7-8,10-11,14H,2-6H2,1H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol?
2-(5-methylpyrazol-1-yl)cycloheptan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)cycloheptan-1-ol is sourced from PubChem (CID 62713574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).