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

C8H13BrN4 — CID 170622365

IUPAC3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1Br)CNCCC2
InChIInChI=1S/C8H13BrN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12)
InChIKeyPTZLNVZUEWTAAD-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.18
Rot. Bonds1

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

3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 170622365) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID170622365
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1Br)CNCCC2
InChIInChI=1S/C8H13BrN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12)
InChIKeyPTZLNVZUEWTAAD-UHFFFAOYSA-N
XLogP1.18
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622237
3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 176890070
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine
CID 12763838
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine
CID 12763840
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride
CID 23330492
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine
CID 23330504
N-Methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-2-amine
CID 135294478
N-[[4-bromo-5-isocyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-1,1,1-trideuteriomethanamine
CID 141639381
1-(4-bromo-5-isocyano-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 141639397
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen
CID 164534616
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 164534617
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 164534905

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 170622365) is 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is CNc1nn2c(c1Br)CNCCC2.
What is the InChIKey of 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is PTZLNVZUEWTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12).
What are the key properties of 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 245.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 170622365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).