5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine

C16H17N5 — CID 117448028

IUPAC5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3c4c([nH]c23)N2CCC4CC2)[nH]n1
InChIInChI=1S/C16H17N5/c17-13-8-12(19-20-13)10-2-1-3-11-14-9-4-6-21(7-5-9)16(14)18-15(10)11/h1-3,8-9,18H,4-7H2,(H3,17,19,20)
InChIKeyDBZGCBZPUYKUKE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.84
Rot. Bonds1

About 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine

5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine (PubChem CID 117448028) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine
PubChem CID117448028
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3c4c([nH]c23)N2CCC4CC2)[nH]n1
InChIInChI=1S/C16H17N5/c17-13-8-12(19-20-13)10-2-1-3-11-14-9-4-6-21(7-5-9)16(14)18-15(10)11/h1-3,8-9,18H,4-7H2,(H3,17,19,20)
InChIKeyDBZGCBZPUYKUKE-UHFFFAOYSA-N
XLogP2.84
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine 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-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile
CID 117347244
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine
CID 117391793
O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine
CID 117396834
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclobutan-1-amine
CID 117422207
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol
CID 117424791
2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-2-oxoacetic acid
CID 117428851
9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
CID 83986251
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-3-methylbutanoic acid
CID 117480955
5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
CID 88558873
3-(3-amino-1H-pyrazol-5-yl)-1H-indol-7-ol
CID 136985847
5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine
CID 117427035
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640

Frequently Asked Questions

What is the IUPAC name of 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine (CID 117448028) is 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cccc3c4c([nH]c23)N2CCC4CC2)[nH]n1.
What is the InChIKey of 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine?
The InChIKey is DBZGCBZPUYKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-13-8-12(19-20-13)10-2-1-3-11-14-9-4-6-21(7-5-9)16(14)18-15(10)11/h1-3,8-9,18H,4-7H2,(H3,17,19,20).
What are the key properties of 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine?
5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine has a molecular weight of 279.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117448028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).