N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide

C15H18N4O2 — CID 3238912

IUPACN-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-4-19-10-9-14(17-19)15(21)16-12-5-7-13(8-6-12)18(3)11(2)20/h5-10H,4H2,1-3H3,(H,16,21)
InChIKeyITHLLNAEGXABNZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.14
Rot. Bonds4

About N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide

N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 3238912) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide
PubChem CID3238912
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-4-19-10-9-14(17-19)15(21)16-12-5-7-13(8-6-12)18(3)11(2)20/h5-10H,4H2,1-3H3,(H,16,21)
InChIKeyITHLLNAEGXABNZ-UHFFFAOYSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide (CID 3238912) is N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is ITHLLNAEGXABNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-19-10-9-14(17-19)15(21)16-12-5-7-13(8-6-12)18(3)11(2)20/h5-10H,4H2,1-3H3,(H,16,21).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide?
N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 3238912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).