N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

C22H25N3O2 — CID 155753643

IUPACN-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)n[nH]2)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)16-7-9-17(10-8-16)23-21(26)20-14-18(24-25-20)13-15-5-11-19(27-4)12-6-15/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyAZUUGVXUOPYJMA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.56
Rot. Bonds5

About N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 155753643) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID155753643
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)n[nH]2)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)16-7-9-17(10-8-16)23-21(26)20-14-18(24-25-20)13-15-5-11-19(27-4)12-6-15/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyAZUUGVXUOPYJMA-UHFFFAOYSA-N
XLogP4.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 155753643) is N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is COc1ccc(Cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)n[nH]2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AZUUGVXUOPYJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)16-7-9-17(10-8-16)23-21(26)20-14-18(24-25-20)13-15-5-11-19(27-4)12-6-15/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155753643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).