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

C10H17N3O — CID 83484651

IUPAC3-(1H-pyrazol-4-ylmethyl)azepan-4-ol
SMILESOC1CCCNCC1Cc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c14-10-2-1-3-11-7-9(10)4-8-5-12-13-6-8/h5-6,9-11,14H,1-4,7H2,(H,12,13)
InChIKeySULUXMRCVKWDLP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds2

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

3-(1H-pyrazol-4-ylmethyl)azepan-4-ol (PubChem CID 83484651) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylmethyl)azepan-4-ol
PubChem CID83484651
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(1H-pyrazol-4-ylmethyl)azepan-4-ol
SMILESOC1CCCNCC1Cc1cn[nH]c1
InChIInChI=1S/C10H17N3O/c14-10-2-1-3-11-7-9(10)4-8-5-12-13-6-8/h5-6,9-11,14H,1-4,7H2,(H,12,13)
InChIKeySULUXMRCVKWDLP-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

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(5-(1H-Pyrazol-4-yl)piperidin-3-yl)methanol
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CID 144877694
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2-(1H-pyrazol-4-yl)cycloheptan-1-ol
CID 173776026
5-(1H-pyrazol-4-ylmethyl)azepan-4-ol
CID 83484652
4-(1H-pyrazol-4-ylmethyl)azepan-3-ol
CID 83484653
[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol
CID 83915015
1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol
CID 84652727
piperidin-3-yl(1H-pyrazol-4-yl)methanol
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CID 84732383

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
The IUPAC name of 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol (CID 83484651) is 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol.
What is the SMILES notation for 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
The canonical SMILES for 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol is OC1CCCNCC1Cc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
The InChIKey is SULUXMRCVKWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-2-1-3-11-7-9(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 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol?
3-(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 3-(1H-pyrazol-4-ylmethyl)azepan-4-ol is sourced from PubChem (CID 83484651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).