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

C13H23ClN4 — CID 169145504

IUPAC1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)N1CCCn2nc(CN(C)C)c(Cl)c2C1
InChIInChI=1S/C13H23ClN4/c1-10(2)17-6-5-7-18-12(9-17)13(14)11(15-18)8-16(3)4/h10H,5-9H2,1-4H3
InChIKeyZGUOUOJAFKVDDP-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.21
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

1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine (PubChem CID 169145504) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 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.

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
PubChem CID169145504
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)N1CCCn2nc(CN(C)C)c(Cl)c2C1
InChIInChI=1S/C13H23ClN4/c1-10(2)17-6-5-7-18-12(9-17)13(14)11(15-18)8-16(3)4/h10H,5-9H2,1-4H3
InChIKeyZGUOUOJAFKVDDP-UHFFFAOYSA-N
XLogP2.21
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 59833744
1-[4-chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 59833745
5-(Azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59833746
3-(Azidomethyl)-4-chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 59833760
[4-Chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
CID 59833771
1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 71053860
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-2,2-difluoro-N,N-dimethylethenamine
CID 178966044
N-(2-bromoethyl)-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487531
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487833
N-(2-chloroethyl)-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487911
N-(2-bromoethyl)-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488335

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?
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 (CID 169145504) is 1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine.
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?
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 is 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?
The InChIKey is ZGUOUOJAFKVDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-10(2)17-6-5-7-18-12(9-17)13(14)11(15-18)8-16(3)4/h10H,5-9H2,1-4H3.
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?
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 270.81 g/mol, XLogP of 2.21, 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 is sourced from PubChem (CID 169145504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).