1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide

C23H21N5O3 — CID 50780609

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1
InChIInChI=1S/C23H21N5O3/c1-14-20(22(29)24-17-7-11-19(30-2)12-8-17)13-28(26-14)18-9-5-15(6-10-18)21-25-23(31-27-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3,(H,24,29)
InChIKeySEAXFTNJJZHMIX-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.37
Rot. Bonds6

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 50780609) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID50780609
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1
InChIInChI=1S/C23H21N5O3/c1-14-20(22(29)24-17-7-11-19(30-2)12-8-17)13-28(26-14)18-9-5-15(6-10-18)21-25-23(31-27-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3,(H,24,29)
InChIKeySEAXFTNJJZHMIX-UHFFFAOYSA-N
XLogP4.37
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
N-(3-chloro-4-methoxyphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
CID 50821329
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 50780510
[1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50780802
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
CID 50821188
N-[4-[5-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53011866
N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
CID 50821256

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 50780609) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is SEAXFTNJJZHMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14-20(22(29)24-17-7-11-19(30-2)12-8-17)13-28(26-14)18-9-5-15(6-10-18)21-25-23(31-27-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3,(H,24,29).
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50780609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).