1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide

C20H19ClFN3O2 — CID 18132105

IUPAC1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1F
InChIInChI=1S/C20H19ClFN3O2/c1-24(11-14-7-8-19(27-2)18(22)9-14)20(26)16-10-23-25(13-16)12-15-5-3-4-6-17(15)21/h3-10,13H,11-12H2,1-2H3
InChIKeyUGNILWVAHGBMTN-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.00
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 18132105) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
PubChem CID18132105
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1F
InChIInChI=1S/C20H19ClFN3O2/c1-24(11-14-7-8-19(27-2)18(22)9-14)20(26)16-10-23-25(13-16)12-15-5-3-4-6-17(15)21/h3-10,13H,11-12H2,1-2H3
InChIKeyUGNILWVAHGBMTN-UHFFFAOYSA-N
XLogP4.00
TPSA47.36 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide (CID 18132105) is 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1F.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is UGNILWVAHGBMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-24(11-14-7-8-19(27-2)18(22)9-14)20(26)16-10-23-25(13-16)12-15-5-3-4-6-17(15)21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 387.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 18132105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).