1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine

C12H20N4 — CID 171640849

IUPAC1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
SMILESC=C(N)c1cc2n(n1)CCCN(C(C)C)C2
InChIInChI=1S/C12H20N4/c1-9(2)15-5-4-6-16-11(8-15)7-12(14-16)10(3)13/h7,9H,3-6,8,13H2,1-2H3
InChIKeyNBWLMAKZFSMIIK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds2

About 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine

1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine (PubChem CID 171640849) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine.

Molecular Properties

Compound Name1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
PubChem CID171640849
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
SMILESC=C(N)c1cc2n(n1)CCCN(C(C)C)C2
InChIInChI=1S/C12H20N4/c1-9(2)15-5-4-6-16-11(8-15)7-12(14-16)10(3)13/h7,9H,3-6,8,13H2,1-2H3
InChIKeyNBWLMAKZFSMIIK-UHFFFAOYSA-N
XLogP1.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one
CID 56718033
5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 169145464
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95122494
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol
CID 177033515
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50959976
N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169145943
2-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbaldehyde
CID 144720889
N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50960771
N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 177033572
[5-[(2R)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 95131101
methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50961136

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine?
The IUPAC name of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine (CID 171640849) is 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine.
What is the SMILES notation for 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine?
The canonical SMILES for 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine is C=C(N)c1cc2n(n1)CCCN(C(C)C)C2.
What is the InChIKey of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine?
The InChIKey is NBWLMAKZFSMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)15-5-4-6-16-11(8-15)7-12(14-16)10(3)13/h7,9H,3-6,8,13H2,1-2H3.
What are the key properties of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine?
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine has a molecular weight of 220.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine is sourced from PubChem (CID 171640849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).