N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C22H23N5O3 — CID 86974071

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2noc(C(C)(C)C)n2)o1
InChIInChI=1S/C22H23N5O3/c1-14-10-11-17(29-14)19-16(13-27(25-19)15-8-6-5-7-9-15)20(28)23-12-18-24-21(30-26-18)22(2,3)4/h5-11,13H,12H2,1-4H3,(H,23,28)
InChIKeyWWRITHCGDDCOFX-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.05
Rot. Bonds5

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 86974071) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID86974071
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2noc(C(C)(C)C)n2)o1
InChIInChI=1S/C22H23N5O3/c1-14-10-11-17(29-14)19-16(13-27(25-19)15-8-6-5-7-9-15)20(28)23-12-18-24-21(30-26-18)22(2,3)4/h5-11,13H,12H2,1-4H3,(H,23,28)
InChIKeyWWRITHCGDDCOFX-UHFFFAOYSA-N
XLogP4.05
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-(1,3-benzothiazol-2-ylmethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 38284507
N-[(3-carbamoylphenyl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 32636261
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55846880
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 86974156
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 86974071) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2noc(C(C)(C)C)n2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is WWRITHCGDDCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14-10-11-17(29-14)19-16(13-27(25-19)15-8-6-5-7-9-15)20(28)23-12-18-24-21(30-26-18)22(2,3)4/h5-11,13H,12H2,1-4H3,(H,23,28).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 86974071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).