4-(1-methylpyrazol-4-yl)azepan-4-ol

C10H17N3O — CID 126973104

IUPAC4-(1-methylpyrazol-4-yl)azepan-4-ol
SMILESCn1cc(C2(O)CCCNCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-8-9(7-12-13)10(14)3-2-5-11-6-4-10/h7-8,11,14H,2-6H2,1H3
InChIKeyUWRVWDMGMNWSOB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.38
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)azepan-4-ol

4-(1-methylpyrazol-4-yl)azepan-4-ol (PubChem CID 126973104) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)azepan-4-ol
PubChem CID126973104
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(1-methylpyrazol-4-yl)azepan-4-ol
SMILESCn1cc(C2(O)CCCNCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-8-9(7-12-13)10(14)3-2-5-11-6-4-10/h7-8,11,14H,2-6H2,1H3
InChIKeyUWRVWDMGMNWSOB-UHFFFAOYSA-N
XLogP0.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)azepan-4-ol?
The IUPAC name of 4-(1-methylpyrazol-4-yl)azepan-4-ol (CID 126973104) is 4-(1-methylpyrazol-4-yl)azepan-4-ol.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)azepan-4-ol?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)azepan-4-ol is Cn1cc(C2(O)CCCNCC2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)azepan-4-ol?
The InChIKey is UWRVWDMGMNWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8-9(7-12-13)10(14)3-2-5-11-6-4-10/h7-8,11,14H,2-6H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)azepan-4-ol?
4-(1-methylpyrazol-4-yl)azepan-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)azepan-4-ol is sourced from PubChem (CID 126973104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).