N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C19H21N3O2 — CID 34230439

IUPACN-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C19H21N3O2/c1-3-4-12-20-19(23)16-13-22(15-8-6-5-7-9-15)21-18(16)17-11-10-14(2)24-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyYKSVPFRTYVTCNK-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.97
Rot. Bonds6

About N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 34230439) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID34230439
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C19H21N3O2/c1-3-4-12-20-19(23)16-13-22(15-8-6-5-7-9-15)21-18(16)17-11-10-14(2)24-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyYKSVPFRTYVTCNK-UHFFFAOYSA-N
XLogP3.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 34230439) is N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1.
What is the InChIKey of N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YKSVPFRTYVTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-4-12-20-19(23)16-13-22(15-8-6-5-7-9-15)21-18(16)17-11-10-14(2)24-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34230439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).