1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride

C11H21Cl2N3 — CID 155820994

IUPAC1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride
SMILESCC(C)n1ncc2c1CC(N)CCC2.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-8(2)14-11-6-10(12)5-3-4-9(11)7-13-14;;/h7-8,10H,3-6,12H2,1-2H3;2*1H
InChIKeyNWKIIHXRGGVARQ-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.51
Rot. Bonds1

About 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride

1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride (PubChem CID 155820994) has the molecular formula C11H21Cl2N3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride
PubChem CID155820994
Molecular FormulaC11H21Cl2N3
Molecular Weight266.22 g/mol
Exact Mass265.11
IUPAC Name1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride
SMILESCC(C)n1ncc2c1CC(N)CCC2.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-8(2)14-11-6-10(12)5-3-4-9(11)7-13-14;;/h7-8,10H,3-6,12H2,1-2H3;2*1H
InChIKeyNWKIIHXRGGVARQ-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride?
The IUPAC name of 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride (CID 155820994) is 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride.
What is the SMILES notation for 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride?
The canonical SMILES for 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride is CC(C)n1ncc2c1CC(N)CCC2.Cl.Cl.
What is the InChIKey of 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride?
The InChIKey is NWKIIHXRGGVARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.2ClH/c1-8(2)14-11-6-10(12)5-3-4-9(11)7-13-14;;/h7-8,10H,3-6,12H2,1-2H3;2*1H.
What are the key properties of 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride?
1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride has a molecular weight of 266.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine;dihydrochloride is sourced from PubChem (CID 155820994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).