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

C10H17ClN4 — CID 169145703

IUPAC1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine
SMILESCNCc1nn2c(c1Cl)CN(C)CCC2
InChIInChI=1S/C10H17ClN4/c1-12-6-8-10(11)9-7-14(2)4-3-5-15(9)13-8/h12H,3-7H2,1-2H3
InChIKeyKESZNNQWEDEQIW-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.09
Rot. Bonds2

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

1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine (PubChem CID 169145703) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine
PubChem CID169145703
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine
SMILESCNCc1nn2c(c1Cl)CN(C)CCC2
InChIInChI=1S/C10H17ClN4/c1-12-6-8-10(11)9-7-14(2)4-3-5-15(9)13-8/h12H,3-7H2,1-2H3
InChIKeyKESZNNQWEDEQIW-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
[4-Chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
CID 59833769
[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-methylmethanamine
CID 70967699
1-[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine
CID 117670310
[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane
CID 142843305
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-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62567154
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65857950
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65861029

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine (CID 169145703) is 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine is CNCc1nn2c(c1Cl)CN(C)CCC2.
What is the InChIKey of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine?
The InChIKey is KESZNNQWEDEQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-12-6-8-10(11)9-7-14(2)4-3-5-15(9)13-8/h12H,3-7H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine?
1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine has a molecular weight of 228.73 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 169145703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).