5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide

C11H18N4O2 — CID 176998080

IUPAC5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC(C)C)nn1C
InChIInChI=1S/C11H18N4O2/c1-5-12-11(17)9-6-8(14-15(9)4)10(16)13-7(2)3/h6-7H,5H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyQZHNUUXWYAMEGF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.31
Rot. Bonds4

About 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide

5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide (PubChem CID 176998080) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide
PubChem CID176998080
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC(C)C)nn1C
InChIInChI=1S/C11H18N4O2/c1-5-12-11(17)9-6-8(14-15(9)4)10(16)13-7(2)3/h6-7H,5H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyQZHNUUXWYAMEGF-UHFFFAOYSA-N
XLogP0.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide
CID 176998259
3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
CID 131153893
1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide
CID 176998192
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-ethyl-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 58337027
N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide
CID 56730562
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097386

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide (CID 176998080) is 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide is CCNC(=O)c1cc(C(=O)NC(C)C)nn1C.
What is the InChIKey of 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide?
The InChIKey is QZHNUUXWYAMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-5-12-11(17)9-6-8(14-15(9)4)10(16)13-7(2)3/h6-7H,5H2,1-4H3,(H,12,17)(H,13,16).
What are the key properties of 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide?
5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 176998080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).