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

C8H13FN4 — CID 170622237

IUPAC3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1F)CNCCC2
InChIInChI=1S/C8H13FN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12)
InChIKeyUCKKTIMEMKNHMO-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.56
Rot. Bonds1

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

3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 170622237) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID170622237
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1F)CNCCC2
InChIInChI=1S/C8H13FN4/c1-10-8-7(9)6-5-11-3-2-4-13(6)12-8/h11H,2-5H2,1H3,(H,10,12)
InChIKeyUCKKTIMEMKNHMO-UHFFFAOYSA-N
XLogP0.56
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.56
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-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 176890070
5-N-(2-fluoroethyl)-1,3-dimethylpyrazole-4,5-diamine
CID 130503852
5-N-(3-fluoropropyl)-1,3-dimethylpyrazole-4,5-diamine
CID 130503922
1-Ethyl-3-(ethylaminomethyl)pyrazole-4,5-diamine
CID 9794066
3-(Ethylaminomethyl)-1-methylpyrazole-4,5-diamine
CID 9815333
4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 23389110
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
5-Methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 168156810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 170622237) is 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is CNc1nn2c(c1F)CNCCC2.
What is the InChIKey of 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is UCKKTIMEMKNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/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-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 184.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 170622237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).