3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine

C11H20N4 — CID 170601810

IUPAC3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCc1c(N)nn2c1CN(C(C)C)CCC2
InChIInChI=1S/C11H20N4/c1-8(2)14-5-4-6-15-10(7-14)9(3)11(12)13-15/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyLSCHBVXIMVZWBO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds1

About 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine

3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 170601810) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID170601810
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCc1c(N)nn2c1CN(C(C)C)CCC2
InChIInChI=1S/C11H20N4/c1-8(2)14-5-4-6-15-10(7-14)9(3)11(12)13-15/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyLSCHBVXIMVZWBO-UHFFFAOYSA-N
XLogP1.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
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
1,3-Dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
CID 55046221
1-Isopropyl-3,4-dimethyl-1H-pyrazol-5-amine
CID 61949161
1,5-Dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83845535
5-Tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 105462291
4,5-Dimethyl-1-propan-2-ylpyrazol-3-amine
CID 129086824
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-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
N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
CID 169145571

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine (CID 170601810) is 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine is Cc1c(N)nn2c1CN(C(C)C)CCC2.
What is the InChIKey of 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is LSCHBVXIMVZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)14-5-4-6-15-10(7-14)9(3)11(12)13-15/h8H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine?
3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 170601810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).