2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide

C17H21FN4O3 — CID 136559274

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2ccc(OC)c(F)c2)n(C)n1
InChIInChI=1S/C17H21FN4O3/c1-21-15(10-16(20-21)25-3)19-17(23)22-8-4-5-13(22)11-6-7-14(24-2)12(18)9-11/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,19,23)
InChIKeyVGAKNGBCLOFUHB-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide

2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 136559274) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID136559274
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2ccc(OC)c(F)c2)n(C)n1
InChIInChI=1S/C17H21FN4O3/c1-21-15(10-16(20-21)25-3)19-17(23)22-8-4-5-13(22)11-6-7-14(24-2)12(18)9-11/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,19,23)
InChIKeyVGAKNGBCLOFUHB-UHFFFAOYSA-N
XLogP2.95
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
N-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 139001901
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide (CID 136559274) is 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCCC2c2ccc(OC)c(F)c2)n(C)n1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is VGAKNGBCLOFUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-21-15(10-16(20-21)25-3)19-17(23)22-8-4-5-13(22)11-6-7-14(24-2)12(18)9-11/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,19,23).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide?
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136559274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).