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

C7H11FN4 — CID 176890070

IUPAC3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESNc1nn2c(c1F)CNCCC2
InChIInChI=1S/C7H11FN4/c8-6-5-4-10-2-1-3-12(5)11-7(6)9/h10H,1-4H2,(H2,9,11)
InChIKeyVUHDCPOOFDOSDQ-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.10
Rot. Bonds

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

3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 176890070) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID176890070
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESNc1nn2c(c1F)CNCCC2
InChIInChI=1S/C7H11FN4/c8-6-5-4-10-2-1-3-12(5)11-7(6)9/h10H,1-4H2,(H2,9,11)
InChIKeyVUHDCPOOFDOSDQ-UHFFFAOYSA-N
XLogP0.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.10
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-(Ethylaminomethyl)-1-methylpyrazole-4,5-diamine
CID 9815333
5-(Aminomethyl)-1-ethyl-1H-pyrazole-3,4-diamine
CID 23298735
5-(Aminomethyl)-1-propylpyrazole-3,4-diamine
CID 23298751
N-Methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-2-amine
CID 135294478
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 164534905
5-Methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 168156810
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 169126367
3-Chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170223442
3-Methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170601810
3-bromo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622230

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 176890070) is 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is Nc1nn2c(c1F)CNCCC2.
What is the InChIKey of 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is VUHDCPOOFDOSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/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-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 170.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 176890070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).