N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide

C22H23N5O — CID 11451593

IUPACN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C22H23N5O/c1-14-9-11-15(12-10-14)27-19(13-18(26-27)22(2,3)4)23-21(28)20-16-7-5-6-8-17(16)24-25-20/h5-13H,1-4H3,(H,23,28)(H,24,25)
InChIKeyQESCCBUZTGYBRY-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.61
Rot. Bonds3

About N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide (PubChem CID 11451593) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
PubChem CID11451593
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C22H23N5O/c1-14-9-11-15(12-10-14)27-19(13-18(26-27)22(2,3)4)23-21(28)20-16-7-5-6-8-17(16)24-25-20/h5-13H,1-4H3,(H,23,28)(H,24,25)
InChIKeyQESCCBUZTGYBRY-UHFFFAOYSA-N
XLogP4.61
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide (CID 11451593) is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is QESCCBUZTGYBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-9-11-15(12-10-14)27-19(13-18(26-27)22(2,3)4)23-21(28)20-16-7-5-6-8-17(16)24-25-20/h5-13H,1-4H3,(H,23,28)(H,24,25).
What are the key properties of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 11451593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).