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

C11H20N4 — CID 83862791

IUPACN-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
SMILESCNc1c2c(nn1C(C)C)CCNCC2
InChIInChI=1S/C11H20N4/c1-8(2)15-11(12-3)9-4-6-13-7-5-10(9)14-15/h8,12-13H,4-7H2,1-3H3
InChIKeyWDGDUSNYPXDTNO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.19
Rot. Bonds2

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

N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine (PubChem CID 83862791) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
PubChem CID83862791
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
SMILESCNc1c2c(nn1C(C)C)CCNCC2
InChIInChI=1S/C11H20N4/c1-8(2)15-11(12-3)9-4-6-13-7-5-10(9)14-15/h8,12-13H,4-7H2,1-3H3
InChIKeyWDGDUSNYPXDTNO-UHFFFAOYSA-N
XLogP1.19
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.19
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-cyclohepta[c]pyrazol-3-amine
CID 83862790
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862794
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
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
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 84657576
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 84657575
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
3-(chloromethyl)-2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214424
3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 158533758

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
The IUPAC name of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine (CID 83862791) is N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine is CNc1c2c(nn1C(C)C)CCNCC2.
What is the InChIKey of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
The InChIKey is WDGDUSNYPXDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)15-11(12-3)9-4-6-13-7-5-10(9)14-15/h8,12-13H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine?
N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine is sourced from PubChem (CID 83862791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).