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

C8H13ClN4 — CID 170622435

IUPAC3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1Cl)CNCCC2
InChIInChI=1S/C8H13ClN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12)
InChIKeyHEUBVXOVERVPRE-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.07
Rot. Bonds1

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

3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 170622435) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID170622435
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1Cl)CNCCC2
InChIInChI=1S/C8H13ClN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12)
InChIKeyHEUBVXOVERVPRE-UHFFFAOYSA-N
XLogP1.07
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.07
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-chloro-N,1,3-trimethylpyrazol-5-amine
CID 54006212
1-(4-Chloro-1,5-dimethylpyrazol-3-yl)piperazine
CID 84041395
1-(4-Chloro-1,3-dimethylpyrazol-5-yl)piperazine
CID 84041396
N-Methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-2-amine
CID 135294478
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
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 169126367
3-Chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
CID 169145497
3-Chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 169145498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 170622435) is 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is CNc1nn2c(c1Cl)CNCCC2.
What is the InChIKey of 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is HEUBVXOVERVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/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-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 200.67 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 170622435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).