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

C24H22ClN5O2 — CID 50821256

IUPACN-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1-n1cc(C(=O)Nc2cccc(Cl)c2C)c(C)n1
InChIInChI=1S/C24H22ClN5O2/c1-13-7-8-17(22-27-24(32-29-22)16-9-10-16)11-21(13)30-12-18(15(3)28-30)23(31)26-20-6-4-5-19(25)14(20)2/h4-8,11-12,16H,9-10H2,1-3H3,(H,26,31)
InChIKeyFJEGHNJZBNNCRH-UHFFFAOYSA-N
MW447.93 g/mol
LogP5.63
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 50821256) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
PubChem CID50821256
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1-n1cc(C(=O)Nc2cccc(Cl)c2C)c(C)n1
InChIInChI=1S/C24H22ClN5O2/c1-13-7-8-17(22-27-24(32-29-22)16-9-10-16)11-21(13)30-12-18(15(3)28-30)23(31)26-20-6-4-5-19(25)14(20)2/h4-8,11-12,16H,9-10H2,1-3H3,(H,26,31)
InChIKeyFJEGHNJZBNNCRH-UHFFFAOYSA-N
XLogP5.63
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
CID 50821188
N-(3-chloro-4-methoxyphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
CID 50821329
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
N-cyclopentyl-3-methyl-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 46378694
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780609
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5308825
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 50780510

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide (CID 50821256) is N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide is Cc1ccc(-c2noc(C3CC3)n2)cc1-n1cc(C(=O)Nc2cccc(Cl)c2C)c(C)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is FJEGHNJZBNNCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-13-7-8-17(22-27-24(32-29-22)16-9-10-16)11-21(13)30-12-18(15(3)28-30)23(31)26-20-6-4-5-19(25)14(20)2/h4-8,11-12,16H,9-10H2,1-3H3,(H,26,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50821256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).