3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide

C21H26N6O2 — CID 138030778

IUPAC3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(N(C)C(=O)c3cc(CC)nn3C)c2)n(C)n1
InChIInChI=1S/C21H26N6O2/c1-6-14-12-18(26(4)23-14)20(28)22-16-9-8-10-17(11-16)25(3)21(29)19-13-15(7-2)24-27(19)5/h8-13H,6-7H2,1-5H3,(H,22,28)
InChIKeyGUTGTGZPHSTQSH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.81
Rot. Bonds6

About 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 138030778) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID138030778
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(N(C)C(=O)c3cc(CC)nn3C)c2)n(C)n1
InChIInChI=1S/C21H26N6O2/c1-6-14-12-18(26(4)23-14)20(28)22-16-9-8-10-17(11-16)25(3)21(29)19-13-15(7-2)24-27(19)5/h8-13H,6-7H2,1-5H3,(H,22,28)
InChIKeyGUTGTGZPHSTQSH-UHFFFAOYSA-N
XLogP2.81
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
3-ethyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 77113197
N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120952
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-ethyl-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-5-carboxamide
CID 66121931
3-chloro-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 107046375
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66119763
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 66120323
3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
CID 131920585

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide (CID 138030778) is 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cccc(N(C)C(=O)c3cc(CC)nn3C)c2)n(C)n1.
What is the InChIKey of 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GUTGTGZPHSTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-6-14-12-18(26(4)23-14)20(28)22-16-9-8-10-17(11-16)25(3)21(29)19-13-15(7-2)24-27(19)5/h8-13H,6-7H2,1-5H3,(H,22,28).
What are the key properties of 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-[(3-ethyl-1-methylpyrazole-5-carbonyl)-methylamino]phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 138030778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).