N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide

C20H17N5O — CID 56931422

IUPACN-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)c3[nH]ncc3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C20H17N5O/c1-13-7-9-15(10-8-13)17-12-21-20(23-17)24-19(26)18-16(11-22-25-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyXNZYAYFSKOBFIX-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.03
Rot. Bonds4

About N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide

N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 56931422) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID56931422
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)c3[nH]ncc3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C20H17N5O/c1-13-7-9-15(10-8-13)17-12-21-20(23-17)24-19(26)18-16(11-22-25-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyXNZYAYFSKOBFIX-UHFFFAOYSA-N
XLogP4.03
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 56931422) is N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cnc(NC(=O)c3[nH]ncc3-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XNZYAYFSKOBFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-7-9-15(10-8-13)17-12-21-20(23-17)24-19(26)18-16(11-22-25-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,25)(H2,21,23,24,26).
What are the key properties of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56931422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).