3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine

C9H15N3 — CID 177339311

IUPAC3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
SMILESCc1c(N)nn2c1CCCCC2
InChIInChI=1S/C9H15N3/c1-7-8-5-3-2-4-6-12(8)11-9(7)10/h2-6H2,1H3,(H2,10,11)
InChIKeyYJTDQIAGJCYPDN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.50
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine

3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine (PubChem CID 177339311) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
PubChem CID177339311
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
SMILESCc1c(N)nn2c1CCCCC2
InChIInChI=1S/C9H15N3/c1-7-8-5-3-2-4-6-12(8)11-9(7)10/h2-6H2,1H3,(H2,10,11)
InChIKeyYJTDQIAGJCYPDN-UHFFFAOYSA-N
XLogP1.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 83821484
3-tert-butyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-amine
CID 155691828
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 90898270
ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 158993847
(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanol
CID 155019625
iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane
CID 155019652
ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 145221540
fluoromethane;4-fluoro-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine
CID 155747572
3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 14145814
2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 170442026
ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 68793305
2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
CID 163751506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine (CID 177339311) is 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine is Cc1c(N)nn2c1CCCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine?
The InChIKey is YJTDQIAGJCYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-8-5-3-2-4-6-12(8)11-9(7)10/h2-6H2,1H3,(H2,10,11).
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine?
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine is sourced from PubChem (CID 177339311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).