5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene

C21H23N5 — CID 167885179

IUPAC5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene
SMILESCc1cnn(C2CCN(c3cc4c(nn3)-c3ccccc3CCC4)C2)c1
InChIInChI=1S/C21H23N5/c1-15-12-22-26(13-15)18-9-10-25(14-18)20-11-17-7-4-6-16-5-2-3-8-19(16)21(17)24-23-20/h2-3,5,8,11-13,18H,4,6-7,9-10,14H2,1H3
InChIKeyCQAWQHKUVPZYDX-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.59
Rot. Bonds2

About 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene

5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene (PubChem CID 167885179) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene.

Molecular Properties

Compound Name5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene
PubChem CID167885179
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene
SMILESCc1cnn(C2CCN(c3cc4c(nn3)-c3ccccc3CCC4)C2)c1
InChIInChI=1S/C21H23N5/c1-15-12-22-26(13-15)18-9-10-25(14-18)20-11-17-7-4-6-16-5-2-3-8-19(16)21(17)24-23-20/h2-3,5,8,11-13,18H,4,6-7,9-10,14H2,1H3
InChIKeyCQAWQHKUVPZYDX-UHFFFAOYSA-N
XLogP3.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene 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 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene?
The IUPAC name of 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene (CID 167885179) is 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene.
What is the SMILES notation for 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene?
The canonical SMILES for 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene is Cc1cnn(C2CCN(c3cc4c(nn3)-c3ccccc3CCC4)C2)c1.
What is the InChIKey of 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene?
The InChIKey is CQAWQHKUVPZYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-15-12-22-26(13-15)18-9-10-25(14-18)20-11-17-7-4-6-16-5-2-3-8-19(16)21(17)24-23-20/h2-3,5,8,11-13,18H,4,6-7,9-10,14H2,1H3.
What are the key properties of 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene?
5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene has a molecular weight of 345.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene is sourced from PubChem (CID 167885179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).