N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C23H19N5O4 — CID 55664409

IUPACN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H19N5O4/c24-21(29)14-25-22(30)15-6-4-7-16(12-15)26-23(31)19-13-18(20-10-5-11-32-20)27-28(19)17-8-2-1-3-9-17/h1-13H,14H2,(H2,24,29)(H,25,30)(H,26,31)
InChIKeyWMUKYQSKNCBCAM-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.60
Rot. Bonds7

About N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 55664409) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID55664409
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H19N5O4/c24-21(29)14-25-22(30)15-6-4-7-16(12-15)26-23(31)19-13-18(20-10-5-11-32-20)27-28(19)17-8-2-1-3-9-17/h1-13H,14H2,(H2,24,29)(H,25,30)(H,26,31)
InChIKeyWMUKYQSKNCBCAM-UHFFFAOYSA-N
XLogP2.60
TPSA132.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 55664409) is N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is NC(=O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is WMUKYQSKNCBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c24-21(29)14-25-22(30)15-6-4-7-16(12-15)26-23(31)19-13-18(20-10-5-11-32-20)27-28(19)17-8-2-1-3-9-17/h1-13H,14H2,(H2,24,29)(H,25,30)(H,26,31).
What are the key properties of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 55664409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).