N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide

C19H18N4O2 — CID 87045497

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H18N4O2/c20-18(24)10-15-8-4-5-9-17(15)22-19(25)16-11-21-23(13-16)12-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,20,24)(H,22,25)
InChIKeyFNWDKBMXCLVDFD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide

N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide (PubChem CID 87045497) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
PubChem CID87045497
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H18N4O2/c20-18(24)10-15-8-4-5-9-17(15)22-19(25)16-11-21-23(13-16)12-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,20,24)(H,22,25)
InChIKeyFNWDKBMXCLVDFD-UHFFFAOYSA-N
XLogP2.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263
1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
CID 155913353
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide (CID 87045497) is N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide is NC(=O)Cc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide?
The InChIKey is FNWDKBMXCLVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-18(24)10-15-8-4-5-9-17(15)22-19(25)16-11-21-23(13-16)12-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,20,24)(H,22,25).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 87045497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).