3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

C16H15N5O4 — CID 121079977

IUPAC3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccon2)cc1
InChIInChI=1S/C16H15N5O4/c1-21-9-12(16(19-21)24-2)15(23)17-11-5-3-10(4-6-11)14(22)18-13-7-8-25-20-13/h3-9H,1-2H3,(H,17,23)(H,18,20,22)
InChIKeyKZTBMVMOBNLXLE-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.92
Rot. Bonds5

About 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 121079977) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID121079977
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccon2)cc1
InChIInChI=1S/C16H15N5O4/c1-21-9-12(16(19-21)24-2)15(23)17-11-5-3-10(4-6-11)14(22)18-13-7-8-25-20-13/h3-9H,1-2H3,(H,17,23)(H,18,20,22)
InChIKeyKZTBMVMOBNLXLE-UHFFFAOYSA-N
XLogP1.92
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
N-[4-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079885
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079884
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079900
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079820
N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 56763926
N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079826
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 121079977) is 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccon2)cc1.
What is the InChIKey of 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is KZTBMVMOBNLXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-21-9-12(16(19-21)24-2)15(23)17-11-5-3-10(4-6-11)14(22)18-13-7-8-25-20-13/h3-9H,1-2H3,(H,17,23)(H,18,20,22).
What are the key properties of 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121079977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).