N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide

C15H14N4O2 — CID 62880357

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2-c2ccc(N)cc2)o1
InChIInChI=1S/C15H14N4O2/c1-10-2-7-13(21-10)15(20)18-14-8-9-17-19(14)12-5-3-11(16)4-6-12/h2-9H,16H2,1H3,(H,18,20)
InChIKeyCROPODWJHWKEMB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.61
Rot. Bonds3

About N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide

N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide (PubChem CID 62880357) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide
PubChem CID62880357
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2-c2ccc(N)cc2)o1
InChIInChI=1S/C15H14N4O2/c1-10-2-7-13(21-10)15(20)18-14-8-9-17-19(14)12-5-3-11(16)4-6-12/h2-9H,16H2,1H3,(H,18,20)
InChIKeyCROPODWJHWKEMB-UHFFFAOYSA-N
XLogP2.61
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide (CID 62880357) is N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccnn2-c2ccc(N)cc2)o1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide?
The InChIKey is CROPODWJHWKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-2-7-13(21-10)15(20)18-14-8-9-17-19(14)12-5-3-11(16)4-6-12/h2-9H,16H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 62880357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).