2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine

C10H18N4 — CID 83862794

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
SMILESCC(C)n1nc2c(c1N)CCNCC2
InChIInChI=1S/C10H18N4/c1-7(2)14-10(11)8-3-5-12-6-4-9(8)13-14/h7,12H,3-6,11H2,1-2H3
InChIKeyAZPIGAQRIINWJM-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.73
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine

2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine (PubChem CID 83862794) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
PubChem CID83862794
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
SMILESCC(C)n1nc2c(c1N)CCNCC2
InChIInChI=1S/C10H18N4/c1-7(2)14-10(11)8-3-5-12-6-4-9(8)13-14/h7,12H,3-6,11H2,1-2H3
InChIKeyAZPIGAQRIINWJM-UHFFFAOYSA-N
XLogP0.73
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862791
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384
(2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711119
6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105486952
2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 105447284
3-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69050218
3-(4-fluorophenyl)-5-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 59752674
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine
CID 83862790
3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 158533758
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711117

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine (CID 83862794) is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine is CC(C)n1nc2c(c1N)CCNCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
The InChIKey is AZPIGAQRIINWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)14-10(11)8-3-5-12-6-4-9(8)13-14/h7,12H,3-6,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine is sourced from PubChem (CID 83862794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).