1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide

C19H22N6O2 — CID 4774253

IUPAC1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccnn3CC)cc2)c(C)n1
InChIInChI=1S/C19H22N6O2/c1-4-24-12-16(13(3)23-24)18(26)21-14-6-8-15(9-7-14)22-19(27)17-10-11-20-25(17)5-2/h6-12H,4-5H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyPDTZOKGYPDNCJW-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.93
Rot. Bonds6

About 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide

1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 4774253) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
PubChem CID4774253
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccnn3CC)cc2)c(C)n1
InChIInChI=1S/C19H22N6O2/c1-4-24-12-16(13(3)23-24)18(26)21-14-6-8-15(9-7-14)22-19(27)17-10-11-20-25(17)5-2/h6-12H,4-5H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyPDTZOKGYPDNCJW-UHFFFAOYSA-N
XLogP2.93
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide (CID 4774253) is 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(NC(=O)c3ccnn3CC)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is PDTZOKGYPDNCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-24-12-16(13(3)23-24)18(26)21-14-6-8-15(9-7-14)22-19(27)17-10-11-20-25(17)5-2/h6-12H,4-5H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide?
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).