N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide

C16H17N5O3 — CID 166269750

IUPACN-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-n2[nH]c(C(=O)N(C)CCc3ncon3)cc2=O)cc1
InChIInChI=1S/C16H17N5O3/c1-11-3-5-12(6-4-11)21-15(22)9-13(18-21)16(23)20(2)8-7-14-17-10-24-19-14/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyHQVBLKXWQQYWKT-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.17
Rot. Bonds5

About N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide

N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 166269750) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID166269750
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-n2[nH]c(C(=O)N(C)CCc3ncon3)cc2=O)cc1
InChIInChI=1S/C16H17N5O3/c1-11-3-5-12(6-4-11)21-15(22)9-13(18-21)16(23)20(2)8-7-14-17-10-24-19-14/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyHQVBLKXWQQYWKT-UHFFFAOYSA-N
XLogP1.17
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide (CID 166269750) is N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide is Cc1ccc(-n2[nH]c(C(=O)N(C)CCc3ncon3)cc2=O)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is HQVBLKXWQQYWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-11-3-5-12(6-4-11)21-15(22)9-13(18-21)16(23)20(2)8-7-14-17-10-24-19-14/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide?
N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166269750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).