[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate

C16H15N5O3 — CID 3242528

IUPAC[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1
InChIInChI=1S/C16H15N5O3/c1-20-13(7-9-17-20)15(22)19-11-3-5-12(6-4-11)24-16(23)14-8-10-18-21(14)2/h3-10H,1-2H3,(H,19,22)
InChIKeyBSBRCTTYDQPOOJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.63
Rot. Bonds4

About [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate

[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate (PubChem CID 3242528) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate
PubChem CID3242528
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1
InChIInChI=1S/C16H15N5O3/c1-20-13(7-9-17-20)15(22)19-11-3-5-12(6-4-11)24-16(23)14-8-10-18-21(14)2/h3-10H,1-2H3,(H,19,22)
InChIKeyBSBRCTTYDQPOOJ-UHFFFAOYSA-N
XLogP1.63
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate?
The IUPAC name of [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate (CID 3242528) is [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate.
What is the SMILES notation for [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate?
The canonical SMILES for [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate is Cn1nccc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1.
What is the InChIKey of [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate?
The InChIKey is BSBRCTTYDQPOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-20-13(7-9-17-20)15(22)19-11-3-5-12(6-4-11)24-16(23)14-8-10-18-21(14)2/h3-10H,1-2H3,(H,19,22).
What are the key properties of [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate?
[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate has a molecular weight of 325.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpyrazole-3-carbonyl)amino]phenyl] 2-methylpyrazole-3-carboxylate is sourced from PubChem (CID 3242528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).