N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide

C25H23N3O — CID 134567374

IUPACN-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
SMILESCc1ccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)cc1
InChIInChI=1S/C25H23N3O/c1-16-7-9-19(10-8-16)24-21-15-20(13-14-22(21)27-28-24)25(29)26-23(18-11-12-18)17-5-3-2-4-6-17/h2-10,13-15,18,23H,11-12H2,1H3,(H,26,29)(H,27,28)
InChIKeyKQOWQWDQOAPCFO-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.42
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide

N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide (PubChem CID 134567374) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
PubChem CID134567374
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
SMILESCc1ccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)cc1
InChIInChI=1S/C25H23N3O/c1-16-7-9-19(10-8-16)24-21-15-20(13-14-22(21)27-28-24)25(29)26-23(18-11-12-18)17-5-3-2-4-6-17/h2-10,13-15,18,23H,11-12H2,1H3,(H,26,29)(H,27,28)
InChIKeyKQOWQWDQOAPCFO-UHFFFAOYSA-N
XLogP5.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide (CID 134567374) is N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide is Cc1ccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is KQOWQWDQOAPCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-16-7-9-19(10-8-16)24-21-15-20(13-14-22(21)27-28-24)25(29)26-23(18-11-12-18)17-5-3-2-4-6-17/h2-10,13-15,18,23H,11-12H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide?
N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 134567374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).