N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide

C19H20N4O3 — CID 1284323

IUPACN,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
InChIInChI=1S/C19H20N4O3/c1-3-22(4-2)19(25)15-13-20-23(14-9-6-5-7-10-14)17(15)21-18(24)16-11-8-12-26-16/h5-13H,3-4H2,1-2H3,(H,21,24)
InChIKeyXVPPYDFEPMZZBJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.20
Rot. Bonds6

About N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide (PubChem CID 1284323) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide
PubChem CID1284323
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1
InChIInChI=1S/C19H20N4O3/c1-3-22(4-2)19(25)15-13-20-23(14-9-6-5-7-10-14)17(15)21-18(24)16-11-8-12-26-16/h5-13H,3-4H2,1-2H3,(H,21,24)
InChIKeyXVPPYDFEPMZZBJ-UHFFFAOYSA-N
XLogP3.20
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide (CID 1284323) is N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1.
What is the InChIKey of N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XVPPYDFEPMZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-22(4-2)19(25)15-13-20-23(14-9-6-5-7-10-14)17(15)21-18(24)16-11-8-12-26-16/h5-13H,3-4H2,1-2H3,(H,21,24).
What are the key properties of N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(furan-2-carbonylamino)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1284323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).