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

C7H11ClN4 — CID 169126367

IUPAC3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESNc1nn2c(c1Cl)CNCCC2
InChIInChI=1S/C7H11ClN4/c8-6-5-4-10-2-1-3-12(5)11-7(6)9/h10H,1-4H2,(H2,9,11)
InChIKeyPNJOCJDYRWZFEO-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.61
Rot. Bonds

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

3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 169126367) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID169126367
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESNc1nn2c(c1Cl)CNCCC2
InChIInChI=1S/C7H11ClN4/c8-6-5-4-10-2-1-3-12(5)11-7(6)9/h10H,1-4H2,(H2,9,11)
InChIKeyPNJOCJDYRWZFEO-UHFFFAOYSA-N
XLogP0.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 135294637
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-1-isopropyl-5-methyl-1H-pyrazol-3-amine
CID 19619856
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 164534905
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
3-Chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
CID 169145678
3-Chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170223442
3-Chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
CID 170601873
3-bromo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622230
N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 169126367) is 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is Nc1nn2c(c1Cl)CNCCC2.
What is the InChIKey of 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is PNJOCJDYRWZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c8-6-5-4-10-2-1-3-12(5)11-7(6)9/h10H,1-4H2,(H2,9,11).
What are the key properties of 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 186.65 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 169126367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).