(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

C18H17N9O — CID 72859321

IUPAC(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C18H17N9O/c28-18(16-10-19-21-17(16)27-12-20-23-24-27)25-6-7-26-15(11-25)9-14(22-26)8-13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,11H2,(H,19,21)
InChIKeyAZNINUFSFDYQCU-UHFFFAOYSA-N
MW375.40 g/mol
LogP0.83
Rot. Bonds4

About (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 72859321) has the molecular formula C18H17N9O and a molecular weight of 375.40 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
PubChem CID72859321
Molecular FormulaC18H17N9O
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C18H17N9O/c28-18(16-10-19-21-17(16)27-12-20-23-24-27)25-6-7-26-15(11-25)9-14(22-26)8-13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,11H2,(H,19,21)
InChIKeyAZNINUFSFDYQCU-UHFFFAOYSA-N
XLogP0.83
TPSA110.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone 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

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
CID 74243991
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
CID 74233678
4-benzyl-3-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-5-one
CID 56873090
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 72853233
1-[4-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 137336857
4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 74250324
(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387630
3-[5-[2-(1H-1,2,4-triazol-5-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56902866
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95717775
[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 45210321
2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-(2-phenylethyl)acetamide
CID 74246092

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (CID 72859321) is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-n1cnnn1)N1CCn2nc(Cc3ccccc3)cc2C1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is AZNINUFSFDYQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O/c28-18(16-10-19-21-17(16)27-12-20-23-24-27)25-6-7-26-15(11-25)9-14(22-26)8-13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,11H2,(H,19,21).
What are the key properties of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 375.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 72859321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).