1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide

C19H24F2N4O2 — CID 124861745

IUPAC1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide
SMILESCOCCN1CCC[C@H]1CNC(=O)c1nn(-c2c(F)cccc2F)cc1C
InChIInChI=1S/C19H24F2N4O2/c1-13-12-25(18-15(20)6-3-7-16(18)21)23-17(13)19(26)22-11-14-5-4-8-24(14)9-10-27-2/h3,6-7,12,14H,4-5,8-11H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyJKMZAHZSTLHEHF-AWEZNQCLSA-N
MW378.42 g/mol
LogP2.30
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide

1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide (PubChem CID 124861745) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide
PubChem CID124861745
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide
SMILESCOCCN1CCC[C@H]1CNC(=O)c1nn(-c2c(F)cccc2F)cc1C
InChIInChI=1S/C19H24F2N4O2/c1-13-12-25(18-15(20)6-3-7-16(18)21)23-17(13)19(26)22-11-14-5-4-8-24(14)9-10-27-2/h3,6-7,12,14H,4-5,8-11H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyJKMZAHZSTLHEHF-AWEZNQCLSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide (CID 124861745) is 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide is COCCN1CCC[C@H]1CNC(=O)c1nn(-c2c(F)cccc2F)cc1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is JKMZAHZSTLHEHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-13-12-25(18-15(20)6-3-7-16(18)21)23-17(13)19(26)22-11-14-5-4-8-24(14)9-10-27-2/h3,6-7,12,14H,4-5,8-11H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 124861745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).