N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide

C17H18N6O2 — CID 19262615

IUPACN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C17H18N6O2/c1-3-23-15(7-9-18-23)17(25)20-13-6-4-5-12(11-13)19-16(24)14-8-10-22(2)21-14/h4-11H,3H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJFCXSXZKMLKMEC-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.14
Rot. Bonds5

About N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262615) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19262615
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C17H18N6O2/c1-3-23-15(7-9-18-23)17(25)20-13-6-4-5-12(11-13)19-16(24)14-8-10-22(2)21-14/h4-11H,3H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJFCXSXZKMLKMEC-UHFFFAOYSA-N
XLogP2.14
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276035
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19264997
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480818
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19262615) is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1.
What is the InChIKey of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JFCXSXZKMLKMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-3-23-15(7-9-18-23)17(25)20-13-6-4-5-12(11-13)19-16(24)14-8-10-22(2)21-14/h4-11H,3H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).