5-(1H-pyrazol-4-ylmethyl)azepan-4-ol

C10H17N3O — CID 83484652

IUPAC5-(1H-pyrazol-4-ylmethyl)azepan-4-ol
SMILESOC1CCNCCC1Cc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c14-10-2-4-11-3-1-9(10)5-8-6-12-13-7-8/h6-7,9-11,14H,1-5H2,(H,12,13)
InChIKeyRNBDMBFFRCSHGP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds2

About 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol

5-(1H-pyrazol-4-ylmethyl)azepan-4-ol (PubChem CID 83484652) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol.

Molecular Properties

Compound Name5-(1H-pyrazol-4-ylmethyl)azepan-4-ol
PubChem CID83484652
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(1H-pyrazol-4-ylmethyl)azepan-4-ol
SMILESOC1CCNCCC1Cc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c14-10-2-4-11-3-1-9(10)5-8-6-12-13-7-8/h6-7,9-11,14H,1-5H2,(H,12,13)
InChIKeyRNBDMBFFRCSHGP-UHFFFAOYSA-N
XLogP0.31
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
CID 118203099
Cyclobutyl(1H-pyrazol-4-yl)methanol
CID 130573129
2-(5-(1H-Pyrazol-4-yl)piperidin-3-yl)propan-2-ol
CID 139343308
3-(1H-Pyrazol-4-yl)piperidin-4-ol
CID 139343478
(5-(1H-Pyrazol-4-yl)piperidin-3-yl)methanol
CID 139343503
ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
CID 144877694
3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride
CID 155673840
2-(1H-pyrazol-4-yl)cycloheptan-1-ol
CID 173776026
3-(1H-pyrazol-4-ylmethyl)azepan-4-ol
CID 83484651
4-(1H-pyrazol-4-ylmethyl)azepan-3-ol
CID 83484653
[6-(1H-pyrazol-4-yl)piperidin-3-yl]methanol
CID 83915014
[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol
CID 83915015

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
The IUPAC name of 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol (CID 83484652) is 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol.
What is the SMILES notation for 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
The canonical SMILES for 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol is OC1CCNCCC1Cc1cn[nH]c1.
What is the InChIKey of 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
The InChIKey is RNBDMBFFRCSHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-2-4-11-3-1-9(10)5-8-6-12-13-7-8/h6-7,9-11,14H,1-5H2,(H,12,13).
What are the key properties of 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
5-(1H-pyrazol-4-ylmethyl)azepan-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-ylmethyl)azepan-4-ol is sourced from PubChem (CID 83484652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).