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

C17H23N7 — CID 56882221

IUPAC2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCc1cc(CC(C)n2ccnc2-c2cc3n(n2)CCCNC3)n[nH]1
InChIInChI=1S/C17H23N7/c1-12-8-14(21-20-12)9-13(2)23-7-5-19-17(23)16-10-15-11-18-4-3-6-24(15)22-16/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3,(H,20,21)
InChIKeyYOTHJKPRYBAZJR-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.08
Rot. Bonds4

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

2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56882221) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56882221
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCc1cc(CC(C)n2ccnc2-c2cc3n(n2)CCCNC3)n[nH]1
InChIInChI=1S/C17H23N7/c1-12-8-14(21-20-12)9-13(2)23-7-5-19-17(23)16-10-15-11-18-4-3-6-24(15)22-16/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3,(H,20,21)
InChIKeyYOTHJKPRYBAZJR-UHFFFAOYSA-N
XLogP2.08
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]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-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56882221) is 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is Cc1cc(CC(C)n2ccnc2-c2cc3n(n2)CCCNC3)n[nH]1.
What is the InChIKey of 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is YOTHJKPRYBAZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-12-8-14(21-20-12)9-13(2)23-7-5-19-17(23)16-10-15-11-18-4-3-6-24(15)22-16/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 325.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56882221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).