5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide

C24H27N5O2 — CID 45166828

IUPAC5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide
SMILESCCC(O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C24H27N5O2/c1-2-18(30)13-25-23(31)20-14-27-29(22(20)16-10-11-16)24-26-12-17-8-5-7-15-6-3-4-9-19(15)21(17)28-24/h3-4,6,9,12,14,16,18,30H,2,5,7-8,10-11,13H2,1H3,(H,25,31)
InChIKeyZWIGBTAYCVQQCQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.20
Rot. Bonds6

About 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide (PubChem CID 45166828) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide
PubChem CID45166828
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide
SMILESCCC(O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C24H27N5O2/c1-2-18(30)13-25-23(31)20-14-27-29(22(20)16-10-11-16)24-26-12-17-8-5-7-15-6-3-4-9-19(15)21(17)28-24/h3-4,6,9,12,14,16,18,30H,2,5,7-8,10-11,13H2,1H3,(H,25,31)
InChIKeyZWIGBTAYCVQQCQ-UHFFFAOYSA-N
XLogP3.20
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide 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-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide (CID 45166828) is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide is CCC(O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide?
The InChIKey is ZWIGBTAYCVQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-18(30)13-25-23(31)20-14-27-29(22(20)16-10-11-16)24-26-12-17-8-5-7-15-6-3-4-9-19(15)21(17)28-24/h3-4,6,9,12,14,16,18,30H,2,5,7-8,10-11,13H2,1H3,(H,25,31).
What are the key properties of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxybutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45166828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).