5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide

C20H16N4O2 — CID 102436304

IUPAC5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
SMILESNc1[nH]n(C(=O)Nc2cccc3ccccc23)c(=O)c1-c1ccccc1
InChIInChI=1S/C20H16N4O2/c21-18-17(14-8-2-1-3-9-14)19(25)24(23-18)20(26)22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,23H,21H2,(H,22,26)
InChIKeyMUPZARZXFUWDCZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.66
Rot. Bonds2

About 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide

5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide (PubChem CID 102436304) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
PubChem CID102436304
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
SMILESNc1[nH]n(C(=O)Nc2cccc3ccccc23)c(=O)c1-c1ccccc1
InChIInChI=1S/C20H16N4O2/c21-18-17(14-8-2-1-3-9-14)19(25)24(23-18)20(26)22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,23H,21H2,(H,22,26)
InChIKeyMUPZARZXFUWDCZ-UHFFFAOYSA-N
XLogP3.66
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea
CID 915861
2-[(Naphthylamino)carbonylamino]benzamide
CID 4164459
1-[[2-(4-Chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea
CID 1012378
N-(3-acetylphenyl)-2-(naphthalen-2-ylcarbonyl)hydrazinecarboxamide
CID 24820068
N-(3-methylphenyl)-2-(naphthalen-2-ylcarbonyl)hydrazinecarboxamide
CID 17283549
N-(2-methylphenyl)-2-(naphthalen-2-ylcarbonyl)hydrazinecarboxamide
CID 24819051
6-(Naphthalen-1-ylamino)-1H-pyrimidine-2,4-dione
CID 309886
Semicarbazide, 1-acetyl-4-(1-naphthyl)-
CID 205226
1-Naphthaleneacetic acid, 2-(((2-methylphenyl)amino)thioxomethyl)hydrazide
CID 3033134
1-Naphthaleneacetic acid, 2-(((3-methylphenyl)amino)thioxomethyl)hydrazide
CID 3033135
N-(naphthalen-1-ylcarbamoyl)benzamide
CID 304771
6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol
CID 385877

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
The IUPAC name of 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide (CID 102436304) is 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
The canonical SMILES for 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide is Nc1[nH]n(C(=O)Nc2cccc3ccccc23)c(=O)c1-c1ccccc1.
What is the InChIKey of 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
The InChIKey is MUPZARZXFUWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-18-17(14-8-2-1-3-9-14)19(25)24(23-18)20(26)22-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,23H,21H2,(H,22,26).
What are the key properties of 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 102436304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).