(2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide

C16H18F2N4O2 — CID 128979985

IUPAC(2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2cn[nH]c2-c2c(F)cccc2F)C1
InChIInChI=1S/C16H18F2N4O2/c1-24-10-5-13(16(19)23)22(8-10)7-9-6-20-21-15(9)14-11(17)3-2-4-12(14)18/h2-4,6,10,13H,5,7-8H2,1H3,(H2,19,23)(H,20,21)/t10-,13-/m0/s1
InChIKeyRUWKXHPLTCOYJC-GWCFXTLKSA-N
MW336.34 g/mol
LogP1.43
Rot. Bonds5

About (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128979985) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128979985
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name(2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2cn[nH]c2-c2c(F)cccc2F)C1
InChIInChI=1S/C16H18F2N4O2/c1-24-10-5-13(16(19)23)22(8-10)7-9-6-20-21-15(9)14-11(17)3-2-4-12(14)18/h2-4,6,10,13H,5,7-8H2,1H3,(H2,19,23)(H,20,21)/t10-,13-/m0/s1
InChIKeyRUWKXHPLTCOYJC-GWCFXTLKSA-N
XLogP1.43
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide (CID 128979985) is (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(Cc2cn[nH]c2-c2c(F)cccc2F)C1.
What is the InChIKey of (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is RUWKXHPLTCOYJC-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-24-10-5-13(16(19)23)22(8-10)7-9-6-20-21-15(9)14-11(17)3-2-4-12(14)18/h2-4,6,10,13H,5,7-8H2,1H3,(H2,19,23)(H,20,21)/t10-,13-/m0/s1.
What are the key properties of (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128979985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).