(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

C16H18F2N4O2 — CID 154757165

IUPAC(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)N(C)C1
InChIInChI=1S/C16H18F2N4O2/c1-22-8-12(24-2)6-14(22)16(23)19-15-7-13(20-21-15)9-3-10(17)5-11(18)4-9/h3-5,7,12,14H,6,8H2,1-2H3,(H2,19,20,21,23)/t12-,14-/m0/s1
InChIKeyAYSUVGDRTXOBOY-JSGCOSHPSA-N
MW336.34 g/mol
LogP2.01
Rot. Bonds4

About (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 154757165) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
PubChem CID154757165
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)N(C)C1
InChIInChI=1S/C16H18F2N4O2/c1-22-8-12(24-2)6-14(22)16(23)19-15-7-13(20-21-15)9-3-10(17)5-11(18)4-9/h3-5,7,12,14H,6,8H2,1-2H3,(H2,19,20,21,23)/t12-,14-/m0/s1
InChIKeyAYSUVGDRTXOBOY-JSGCOSHPSA-N
XLogP2.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (CID 154757165) is (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)N(C)C1.
What is the InChIKey of (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is AYSUVGDRTXOBOY-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-22-8-12(24-2)6-14(22)16(23)19-15-7-13(20-21-15)9-3-10(17)5-11(18)4-9/h3-5,7,12,14H,6,8H2,1-2H3,(H2,19,20,21,23)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154757165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).