3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride

C15H26Cl2N4 — CID 154923557

IUPAC3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride
SMILESC1CC(N2CCc3[nH]nc(C4CC4)c3CC2)CCN1.Cl.Cl
InChIInChI=1S/C15H24N4.2ClH/c1-2-11(1)15-13-5-9-19(10-6-14(13)17-18-15)12-3-7-16-8-4-12;;/h11-12,16H,1-10H2,(H,17,18);2*1H
InChIKeyHUVJTMRBWBQYRW-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.28
Rot. Bonds2

About 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride

3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride (PubChem CID 154923557) has the molecular formula C15H26Cl2N4 and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride
PubChem CID154923557
Molecular FormulaC15H26Cl2N4
Molecular Weight333.31 g/mol
Exact Mass332.15
IUPAC Name3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride
SMILESC1CC(N2CCc3[nH]nc(C4CC4)c3CC2)CCN1.Cl.Cl
InChIInChI=1S/C15H24N4.2ClH/c1-2-11(1)15-13-5-9-19(10-6-14(13)17-18-15)12-3-7-16-8-4-12;;/h11-12,16H,1-10H2,(H,17,18);2*1H
InChIKeyHUVJTMRBWBQYRW-UHFFFAOYSA-N
XLogP2.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride?
The IUPAC name of 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride (CID 154923557) is 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride.
What is the SMILES notation for 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride?
The canonical SMILES for 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride is C1CC(N2CCc3[nH]nc(C4CC4)c3CC2)CCN1.Cl.Cl.
What is the InChIKey of 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride?
The InChIKey is HUVJTMRBWBQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.2ClH/c1-2-11(1)15-13-5-9-19(10-6-14(13)17-18-15)12-3-7-16-8-4-12;;/h11-12,16H,1-10H2,(H,17,18);2*1H.
What are the key properties of 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride?
3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride has a molecular weight of 333.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-piperidin-4-yl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine;dihydrochloride is sourced from PubChem (CID 154923557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).