N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide

C23H26N4O — CID 90381983

IUPACN-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H26N4O/c1-15-12-21(16(2)26(15)18-6-4-3-5-7-18)23(28)27(19-8-9-19)20-10-11-22-17(13-20)14-24-25-22/h3-7,12,14,19-20H,8-11,13H2,1-2H3,(H,24,25)
InChIKeyBLODVLONMLPMLQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.98
Rot. Bonds4

About N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide

N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide (PubChem CID 90381983) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide
PubChem CID90381983
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H26N4O/c1-15-12-21(16(2)26(15)18-6-4-3-5-7-18)23(28)27(19-8-9-19)20-10-11-22-17(13-20)14-24-25-22/h3-7,12,14,19-20H,8-11,13H2,1-2H3,(H,24,25)
InChIKeyBLODVLONMLPMLQ-UHFFFAOYSA-N
XLogP3.98
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide (CID 90381983) is N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(C)n1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide?
The InChIKey is BLODVLONMLPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-12-21(16(2)26(15)18-6-4-3-5-7-18)23(28)27(19-8-9-19)20-10-11-22-17(13-20)14-24-25-22/h3-7,12,14,19-20H,8-11,13H2,1-2H3,(H,24,25).
What are the key properties of N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide?
N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 90381983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).