1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane

C15H29ClN4 — CID 169145503

IUPAC1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
SMILESCC.CC(C)N1CCCn2nc(CN(C)C)c(Cl)c2C1
InChIInChI=1S/C13H23ClN4.C2H6/c1-10(2)17-6-5-7-18-12(9-17)13(14)11(15-18)8-16(3)4;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyDWSLRNLBMBEBPF-UHFFFAOYSA-N
MW300.88 g/mol
LogP3.24
Rot. Bonds3

About 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane

1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane (PubChem CID 169145503) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
PubChem CID169145503
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC Name1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
SMILESCC.CC(C)N1CCCn2nc(CN(C)C)c(Cl)c2C1
InChIInChI=1S/C13H23ClN4.C2H6/c1-10(2)17-6-5-7-18-12(9-17)13(14)11(15-18)8-16(3)4;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyDWSLRNLBMBEBPF-UHFFFAOYSA-N
XLogP3.24
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 169145873
3-chloro-2-(2,5-dimethyl-1,5-dihydro-1,2,4-triazol-3-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 176703892
1-(3-ethynyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylethenamine
CID 177033608
tert-butyl 3-chloro-2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 170523934
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
CID 171640849
5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 169145464
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
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
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
ethane;1-propan-2-ylpyrrolidine
CID 167557798
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
N,N-diethylformamide;1-propan-2-ylazetidine
CID 142366047

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane (CID 169145503) is 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane is CC.CC(C)N1CCCn2nc(CN(C)C)c(Cl)c2C1.
What is the InChIKey of 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
The InChIKey is DWSLRNLBMBEBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4.C2H6/c1-10(2)17-6-5-7-18-12(9-17)13(14)11(15-18)8-16(3)4;1-2/h10H,5-9H2,1-4H3;1-2H3.
What are the key properties of 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane has a molecular weight of 300.88 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 169145503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).