N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

C20H24N6O — CID 142273267

IUPACN-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESCCC(C)(C)n1ccc(NC(=O)c2n[nH]c3c2-c2ncccc2CCC3)n1
InChIInChI=1S/C20H24N6O/c1-4-20(2,3)26-12-10-15(25-26)22-19(27)18-16-14(23-24-18)9-5-7-13-8-6-11-21-17(13)16/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,23,24)(H,22,25,27)
InChIKeyXCKHHGBPLRJPJQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (PubChem CID 142273267) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
PubChem CID142273267
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESCCC(C)(C)n1ccc(NC(=O)c2n[nH]c3c2-c2ncccc2CCC3)n1
InChIInChI=1S/C20H24N6O/c1-4-20(2,3)26-12-10-15(25-26)22-19(27)18-16-14(23-24-18)9-5-7-13-8-6-11-21-17(13)16/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,23,24)(H,22,25,27)
InChIKeyXCKHHGBPLRJPJQ-UHFFFAOYSA-N
XLogP3.55
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The IUPAC name of N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (CID 142273267) is N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.
What is the SMILES notation for N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The canonical SMILES for N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is CCC(C)(C)n1ccc(NC(=O)c2n[nH]c3c2-c2ncccc2CCC3)n1.
What is the InChIKey of N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The InChIKey is XCKHHGBPLRJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-20(2,3)26-12-10-15(25-26)22-19(27)18-16-14(23-24-18)9-5-7-13-8-6-11-21-17(13)16/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,23,24)(H,22,25,27).
What are the key properties of N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylbutan-2-yl)pyrazol-3-yl]-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is sourced from PubChem (CID 142273267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).