4-(1H-pyrazol-4-ylmethyl)azepan-3-ol

C10H17N3O — CID 83484653

IUPAC4-(1H-pyrazol-4-ylmethyl)azepan-3-ol
SMILESOC1CNCCCC1Cc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c14-10-7-11-3-1-2-9(10)4-8-5-12-13-6-8/h5-6,9-11,14H,1-4,7H2,(H,12,13)
InChIKeyZMBCVBMPQIHYPW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds2

About 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol

4-(1H-pyrazol-4-ylmethyl)azepan-3-ol (PubChem CID 83484653) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol.

Molecular Properties

Compound Name4-(1H-pyrazol-4-ylmethyl)azepan-3-ol
PubChem CID83484653
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(1H-pyrazol-4-ylmethyl)azepan-3-ol
SMILESOC1CNCCCC1Cc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c14-10-7-11-3-1-2-9(10)4-8-5-12-13-6-8/h5-6,9-11,14H,1-4,7H2,(H,12,13)
InChIKeyZMBCVBMPQIHYPW-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

(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
CID 118203086
(5-(1H-Pyrazol-4-yl)piperidin-3-yl)methanol
CID 139343503
(1R)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol
CID 149189758
3-(1H-pyrazol-4-ylmethyl)azepan-4-ol
CID 83484651
5-(1H-pyrazol-4-ylmethyl)azepan-4-ol
CID 83484652
piperidin-3-yl(1H-pyrazol-4-yl)methanol
CID 84658052
(1H-Pyrazol-4-yl)(pyrrolidin-2-yl)methanol
CID 84731704
2-piperidin-4-yl-1-(1H-pyrazol-4-yl)ethanol
CID 84733293
2-(1H-pyrazol-4-yl)piperidin-3-ol
CID 112489674
(4-Methylpiperidin-2-yl)(1h-pyrazol-4-yl)methanol
CID 164649482
(Azepan-2-yl)(1h-pyrazol-4-yl)methanol
CID 164649483
(4-ethylpiperidin-2-yl)(1H-pyrazol-4-yl)methanol
CID 165743300

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol?
The IUPAC name of 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol (CID 83484653) is 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol.
What is the SMILES notation for 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol?
The canonical SMILES for 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol is OC1CNCCCC1Cc1cn[nH]c1.
What is the InChIKey of 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol?
The InChIKey is ZMBCVBMPQIHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-7-11-3-1-2-9(10)4-8-5-12-13-6-8/h5-6,9-11,14H,1-4,7H2,(H,12,13).
What are the key properties of 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol?
4-(1H-pyrazol-4-ylmethyl)azepan-3-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 4-(1H-pyrazol-4-ylmethyl)azepan-3-ol is sourced from PubChem (CID 83484653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).