N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide

C20H20F2N4O — CID 166327534

IUPACN-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(N)c2ccc(F)cc2F)c1Cc1ccccc1
InChIInChI=1S/C20H20F2N4O/c1-26-19(9-13-5-3-2-4-6-13)16(11-25-26)20(27)24-12-18(23)15-8-7-14(21)10-17(15)22/h2-8,10-11,18H,9,12,23H2,1H3,(H,24,27)
InChIKeyCAUZAIMIMDFBLV-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.72
Rot. Bonds6

About N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide

N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide (PubChem CID 166327534) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
PubChem CID166327534
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(N)c2ccc(F)cc2F)c1Cc1ccccc1
InChIInChI=1S/C20H20F2N4O/c1-26-19(9-13-5-3-2-4-6-13)16(11-25-26)20(27)24-12-18(23)15-8-7-14(21)10-17(15)22/h2-8,10-11,18H,9,12,23H2,1H3,(H,24,27)
InChIKeyCAUZAIMIMDFBLV-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 166233654
5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 166341062
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166216619
5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
CID 166233967
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
5-benzyl-N-[(8-hydroxyspiro[3.4]octan-7-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 166281887
5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 167870588
5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166233647
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 166237556
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide (CID 166327534) is N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCC(N)c2ccc(F)cc2F)c1Cc1ccccc1.
What is the InChIKey of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide?
The InChIKey is CAUZAIMIMDFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-26-19(9-13-5-3-2-4-6-13)16(11-25-26)20(27)24-12-18(23)15-8-7-14(21)10-17(15)22/h2-8,10-11,18H,9,12,23H2,1H3,(H,24,27).
What are the key properties of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide?
N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166327534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).