N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide

C17H18N6O2 — CID 19281171

IUPACN-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(NC(=O)c3ccn(C)n3)c2)cn1
InChIInChI=1S/C17H18N6O2/c1-3-23-11-12(10-18-23)16(24)19-13-5-4-6-14(9-13)20-17(25)15-7-8-22(2)21-15/h4-11H,3H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyMNPHOPMIIMMSPH-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.14
Rot. Bonds5

About N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19281171) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19281171
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(NC(=O)c3ccn(C)n3)c2)cn1
InChIInChI=1S/C17H18N6O2/c1-3-23-11-12(10-18-23)16(24)19-13-5-4-6-14(9-13)20-17(25)15-7-8-22(2)21-15/h4-11H,3H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyMNPHOPMIIMMSPH-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-methylpyrazole-3-carboxamide
CID 19262615
3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167774425
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-4-carboxamide
CID 19281060
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19281171) is N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide is CCn1cc(C(=O)Nc2cccc(NC(=O)c3ccn(C)n3)c2)cn1.
What is the InChIKey of N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MNPHOPMIIMMSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-3-23-11-12(10-18-23)16(24)19-13-5-4-6-14(9-13)20-17(25)15-7-8-22(2)21-15/h4-11H,3H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[(1-ethylpyrazole-4-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-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19281171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).