3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide

C19H15FN4O2 — CID 110356761

IUPAC3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc2cccc(NC(=O)c3cc(-c4ccc(F)c(C)c4)n[nH]3)c2o1
InChIInChI=1S/C19H15FN4O2/c1-10-8-12(6-7-13(10)20)16-9-17(24-23-16)19(25)22-15-5-3-4-14-18(15)26-11(2)21-14/h3-9H,1-2H3,(H,22,25)(H,23,24)
InChIKeyORYDIKQWSRTQBL-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.23
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide

3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide (PubChem CID 110356761) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide
PubChem CID110356761
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc2cccc(NC(=O)c3cc(-c4ccc(F)c(C)c4)n[nH]3)c2o1
InChIInChI=1S/C19H15FN4O2/c1-10-8-12(6-7-13(10)20)16-9-17(24-23-16)19(25)22-15-5-3-4-14-18(15)26-11(2)21-14/h3-9H,1-2H3,(H,22,25)(H,23,24)
InChIKeyORYDIKQWSRTQBL-UHFFFAOYSA-N
XLogP4.23
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110307672
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide
CID 110417859
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110309072
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide (CID 110356761) is 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide is Cc1nc2cccc(NC(=O)c3cc(-c4ccc(F)c(C)c4)n[nH]3)c2o1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ORYDIKQWSRTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-10-8-12(6-7-13(10)20)16-9-17(24-23-16)19(25)22-15-5-3-4-14-18(15)26-11(2)21-14/h3-9H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide?
3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110356761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).