(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C18H25N5O5S — CID 146118989

IUPAC(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H25N5O5S/c1-27-12-16-8-15(23-10-14(9-19-23)21-29(3,25)26)11-22(16)18(24)20-13-5-4-6-17(7-13)28-2/h4-7,9-10,15-16,21H,8,11-12H2,1-3H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyNONMUWZAZBXPAU-HOTGVXAUSA-N
MW423.50 g/mol
LogP1.76
Rot. Bonds7

About (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 146118989) has the molecular formula C18H25N5O5S and a molecular weight of 423.50 g/mol. Its IUPAC name is (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID146118989
Molecular FormulaC18H25N5O5S
Molecular Weight423.50 g/mol
Exact Mass423.16
IUPAC Name(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H25N5O5S/c1-27-12-16-8-15(23-10-14(9-19-23)21-29(3,25)26)11-22(16)18(24)20-13-5-4-6-17(7-13)28-2/h4-7,9-10,15-16,21H,8,11-12H2,1-3H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyNONMUWZAZBXPAU-HOTGVXAUSA-N
XLogP1.76
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 71810300
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146118992
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
3-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(3-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 172906147
N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154881
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 146118989) is (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is NONMUWZAZBXPAU-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N5O5S/c1-27-12-16-8-15(23-10-14(9-19-23)21-29(3,25)26)11-22(16)18(24)20-13-5-4-6-17(7-13)28-2/h4-7,9-10,15-16,21H,8,11-12H2,1-3H3,(H,20,24)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146118989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).