N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane

C10H18N4OS — CID 171650641

IUPACN,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane
SMILESCN(C)C(=O)c1cc2n(n1)CCCNC2.S
InChIInChI=1S/C10H16N4O.H2S/c1-13(2)10(15)9-6-8-7-11-4-3-5-14(8)12-9;/h6,11H,3-5,7H2,1-2H3;1H2
InChIKeySISTYNURYBSDGP-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.19
Rot. Bonds1

About N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane

N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane (PubChem CID 171650641) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane.

Molecular Properties

Compound NameN,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane
PubChem CID171650641
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane
SMILESCN(C)C(=O)c1cc2n(n1)CCCNC2.S
InChIInChI=1S/C10H16N4O.H2S/c1-13(2)10(15)9-6-8-7-11-4-3-5-14(8)12-9;/h6,11H,3-5,7H2,1-2H3;1H2
InChIKeySISTYNURYBSDGP-UHFFFAOYSA-N
XLogP0.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane with MolForge

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Related Compounds

N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 164534309
N,N-dimethyl-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 176890096
2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 83882205
2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 170999765
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95125986
N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
CID 56901570
ethyl 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoate
CID 112547177
1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50973577
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50982847
3-(2,5-dimethylphenoxy)-N-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
CID 56898479
5-cyclopropyl-N-hydroxy-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169146006
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide
CID 170622526

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane?
The IUPAC name of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane (CID 171650641) is N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane.
What is the SMILES notation for N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane?
The canonical SMILES for N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane is CN(C)C(=O)c1cc2n(n1)CCCNC2.S.
What is the InChIKey of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane?
The InChIKey is SISTYNURYBSDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.H2S/c1-13(2)10(15)9-6-8-7-11-4-3-5-14(8)12-9;/h6,11H,3-5,7H2,1-2H3;1H2.
What are the key properties of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane?
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane has a molecular weight of 242.35 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane is sourced from PubChem (CID 171650641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).