2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H27N7 — CID 56908814

IUPAC2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCCNC3)c1C
InChIInChI=1S/C19H27N7/c1-4-25-15(3)17(14(2)22-25)6-10-24-11-8-21-19(24)18-12-16-13-20-7-5-9-26(16)23-18/h8,11-12,20H,4-7,9-10,13H2,1-3H3
InChIKeyWDIBTWKWPUTXTH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.32
Rot. Bonds5

About 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56908814) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56908814
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCCNC3)c1C
InChIInChI=1S/C19H27N7/c1-4-25-15(3)17(14(2)22-25)6-10-24-11-8-21-19(24)18-12-16-13-20-7-5-9-26(16)23-18/h8,11-12,20H,4-7,9-10,13H2,1-3H3
InChIKeyWDIBTWKWPUTXTH-UHFFFAOYSA-N
XLogP2.32
TPSA65.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56908814) is 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is CCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCCNC3)c1C.
What is the InChIKey of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is WDIBTWKWPUTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-4-25-15(3)17(14(2)22-25)6-10-24-11-8-21-19(24)18-12-16-13-20-7-5-9-26(16)23-18/h8,11-12,20H,4-7,9-10,13H2,1-3H3.
What are the key properties of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 353.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56908814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).