1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide

C21H19N5O2 — CID 110615827

IUPAC1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)nn2C)cc1
InChIInChI=1S/C21H19N5O2/c1-14-8-10-15(11-9-14)18-12-17(25-26(18)2)20(27)22-13-19-23-24-21(28-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyHKFPNTWGSKRZMD-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.38
Rot. Bonds5

About 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide

1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 110615827) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID110615827
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)nn2C)cc1
InChIInChI=1S/C21H19N5O2/c1-14-8-10-15(11-9-14)18-12-17(25-26(18)2)20(27)22-13-19-23-24-21(28-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyHKFPNTWGSKRZMD-UHFFFAOYSA-N
XLogP3.38
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
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1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
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4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
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N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
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N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
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N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319582
2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319392
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide (CID 110615827) is 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)nn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is HKFPNTWGSKRZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-8-10-15(11-9-14)18-12-17(25-26(18)2)20(27)22-13-19-23-24-21(28-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,27).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110615827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).