ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate

C15H20N4O3 — CID 71989508

IUPACethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cnn(C(C)(C)C)c2)c[nH]1
InChIInChI=1S/C15H20N4O3/c1-5-22-14(21)12-6-11(8-16-12)18-13(20)10-7-17-19(9-10)15(2,3)4/h6-9,16H,5H2,1-4H3,(H,18,20)
InChIKeyTZNYTFXZJWMRHH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.40
Rot. Bonds4

About ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate

ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate (PubChem CID 71989508) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate
PubChem CID71989508
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cnn(C(C)(C)C)c2)c[nH]1
InChIInChI=1S/C15H20N4O3/c1-5-22-14(21)12-6-11(8-16-12)18-13(20)10-7-17-19(9-10)15(2,3)4/h6-9,16H,5H2,1-4H3,(H,18,20)
InChIKeyTZNYTFXZJWMRHH-UHFFFAOYSA-N
XLogP2.40
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate (CID 71989508) is ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(NC(=O)c2cnn(C(C)(C)C)c2)c[nH]1.
What is the InChIKey of ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate?
The InChIKey is TZNYTFXZJWMRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-5-22-14(21)12-6-11(8-16-12)18-13(20)10-7-17-19(9-10)15(2,3)4/h6-9,16H,5H2,1-4H3,(H,18,20).
What are the key properties of ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate?
ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-tert-butylpyrazole-4-carbonyl)amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 71989508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).