N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C20H19ClFN3O2 — CID 99876147

IUPACN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCO[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1Cl
InChIInChI=1S/C20H19ClFN3O2/c1-25-18(11-17(24-25)13-7-9-14(22)10-8-13)20(26)23-12-19(27-2)15-5-3-4-6-16(15)21/h3-11,19H,12H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyJLWOYJAXGRPHHR-IBGZPJMESA-N
MW387.84 g/mol
LogP4.00
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 99876147) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID99876147
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCO[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1Cl
InChIInChI=1S/C20H19ClFN3O2/c1-25-18(11-17(24-25)13-7-9-14(22)10-8-13)20(26)23-12-19(27-2)15-5-3-4-6-16(15)21/h3-11,19H,12H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyJLWOYJAXGRPHHR-IBGZPJMESA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 46705133
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90613430
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[3-(3-chlorophenyl)prop-2-ynyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90548545
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99876156
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
3-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 97414688

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 99876147) is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CO[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JLWOYJAXGRPHHR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-25-18(11-17(24-25)13-7-9-14(22)10-8-13)20(26)23-12-19(27-2)15-5-3-4-6-16(15)21/h3-11,19H,12H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 387.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 99876147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).