4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol

C14H24N2O — CID 82869439

IUPAC4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C14H24N2O/c1-3-12-5-4-8-14(17,9-6-12)11-13-7-10-16(2)15-13/h7,10,12,17H,3-6,8-9,11H2,1-2H3
InChIKeyJPTPNZJDGVHMSR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds3

About 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol

4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol (PubChem CID 82869439) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
PubChem CID82869439
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C14H24N2O/c1-3-12-5-4-8-14(17,9-6-12)11-13-7-10-16(2)15-13/h7,10,12,17H,3-6,8-9,11H2,1-2H3
InChIKeyJPTPNZJDGVHMSR-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol (CID 82869439) is 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol is CCC1CCCC(O)(Cc2ccn(C)n2)CC1.
What is the InChIKey of 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is JPTPNZJDGVHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12-5-4-8-14(17,9-6-12)11-13-7-10-16(2)15-13/h7,10,12,17H,3-6,8-9,11H2,1-2H3.
What are the key properties of 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 82869439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).