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

C16H29ClN4 — CID 169145716

IUPACN-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane
SMILESCC.CC(C)N1CCCn2nc(CNC3CC3)c(Cl)c2C1
InChIInChI=1S/C14H23ClN4.C2H6/c1-10(2)18-6-3-7-19-13(9-18)14(15)12(17-19)8-16-11-4-5-11;1-2/h10-11,16H,3-9H2,1-2H3;1-2H3
InChIKeyXTSJJEWUZNUWIJ-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.43
Rot. Bonds4

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

N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane (PubChem CID 169145716) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane.

Molecular Properties

Compound NameN-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane
PubChem CID169145716
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC NameN-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane
SMILESCC.CC(C)N1CCCn2nc(CNC3CC3)c(Cl)c2C1
InChIInChI=1S/C14H23ClN4.C2H6/c1-10(2)18-6-3-7-19-13(9-18)14(15)12(17-19)8-16-11-4-5-11;1-2/h10-11,16H,3-9H2,1-2H3;1-2H3
InChIKeyXTSJJEWUZNUWIJ-UHFFFAOYSA-N
XLogP3.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 105935816
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113327422
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 114130580
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158900
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158918
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518108
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115518676
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 56720371
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]piperazine
CID 65858626
1-[(4-Chloro-1,5-dimethylpyrazol-3-yl)methyl]piperazine
CID 117670318
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N-methylmethanamine
CID 168942599

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane?
The IUPAC name of N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane (CID 169145716) is N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane.
What is the SMILES notation for N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane?
The canonical SMILES for N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane is CC.CC(C)N1CCCn2nc(CNC3CC3)c(Cl)c2C1.
What is the InChIKey of N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane?
The InChIKey is XTSJJEWUZNUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4.C2H6/c1-10(2)18-6-3-7-19-13(9-18)14(15)12(17-19)8-16-11-4-5-11;1-2/h10-11,16H,3-9H2,1-2H3;1-2H3.
What are the key properties of N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane?
N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane has a molecular weight of 312.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropanamine;ethane is sourced from PubChem (CID 169145716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).