5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol

C9H14N2O — CID 175613001

IUPAC5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol
SMILESOCC1CCc2ccnn2CC1
InChIInChI=1S/C9H14N2O/c12-7-8-1-2-9-3-5-10-11(9)6-4-8/h3,5,8,12H,1-2,4,6-7H2
InChIKeyBHKFMUZYRVLONL-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.83
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol

5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol (PubChem CID 175613001) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol
PubChem CID175613001
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol
SMILESOCC1CCc2ccnn2CC1
InChIInChI=1S/C9H14N2O/c12-7-8-1-2-9-3-5-10-11(9)6-4-8/h3,5,8,12H,1-2,4,6-7H2
InChIKeyBHKFMUZYRVLONL-UHFFFAOYSA-N
XLogP0.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 170078658
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83878878
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
CID 55284769
ethane;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 91002841
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbaldehyde
CID 83872460
2-cyclopropyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892890
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
ethane-1,2-diol;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
CID 45157494
ethane-1,2-diol;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
CID 175291008
(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
CID 117156315
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 75423664

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol?
The IUPAC name of 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol (CID 175613001) is 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol is OCC1CCc2ccnn2CC1.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol?
The InChIKey is BHKFMUZYRVLONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-7-8-1-2-9-3-5-10-11(9)6-4-8/h3,5,8,12H,1-2,4,6-7H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol?
5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol has a molecular weight of 166.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol is sourced from PubChem (CID 175613001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).