N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide

C12H21N5 — CID 169145571

IUPACN,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
SMILES[H]/N=C(/c1nn2c(c1C)CN(C)CCC2)N(C)C
InChIInChI=1S/C12H21N5/c1-9-10-8-16(4)6-5-7-17(10)14-11(9)12(13)15(2)3/h13H,5-8H2,1-4H3/b13-12-
InChIKeyIVWRTUGPOHDOOS-SEYXRHQNSA-N
MW235.33 g/mol
LogP0.91
Rot. Bonds1

About N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide

N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide (PubChem CID 169145571) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
PubChem CID169145571
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
SMILES[H]/N=C(/c1nn2c(c1C)CN(C)CCC2)N(C)C
InChIInChI=1S/C12H21N5/c1-9-10-8-16(4)6-5-7-17(10)14-11(9)12(13)15(2)3/h13H,5-8H2,1-4H3/b13-12-
InChIKeyIVWRTUGPOHDOOS-SEYXRHQNSA-N
XLogP0.91
TPSA48.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]azepan-3-amine
CID 70757815
N1-Ethyl-N1-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-1,2-ethanediamine
CID 66658054
Azane;(2,4,5-trimethylpyrazol-3-yl)methanamine
CID 68629515
2-(2,4,5-Trimethylpyrazol-3-yl)-4,5-dihydroimidazol-1-amine
CID 70593707
(2,4,5-Trimethylpyrazol-3-yl)methanediamine
CID 91318690
1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide
CID 135703135
1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide
CID 136205414
1-(1-ethyl-4,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 149848702
1-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)-N,N-dimethylmethanamine
CID 150443374
(Z)-4,13-dimethyl-N-(methylideneamino)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-imine
CID 155731904
3-chloro-N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
CID 168942778
N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
CID 169145328

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide?
The IUPAC name of N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide (CID 169145571) is N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide.
What is the SMILES notation for N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide?
The canonical SMILES for N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide is [H]/N=C(/c1nn2c(c1C)CN(C)CCC2)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide?
The InChIKey is IVWRTUGPOHDOOS-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-10-8-16(4)6-5-7-17(10)14-11(9)12(13)15(2)3/h13H,5-8H2,1-4H3/b13-12-.
What are the key properties of N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide?
N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide is sourced from PubChem (CID 169145571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).