N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide

C21H28N4O3 — CID 146119052

IUPACN-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C21H28N4O3/c1-27-14-19-9-18(13-24(19)11-15-3-7-20(28-2)8-4-15)25-12-17(10-22-25)23-21(26)16-5-6-16/h3-4,7-8,10,12,16,18-19H,5-6,9,11,13-14H2,1-2H3,(H,23,26)/t18-,19-/m0/s1
InChIKeyZQVGJUJSAPXGTQ-OALUTQOASA-N
MW384.48 g/mol
LogP2.70
Rot. Bonds8

About N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 146119052) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID146119052
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C21H28N4O3/c1-27-14-19-9-18(13-24(19)11-15-3-7-20(28-2)8-4-15)25-12-17(10-22-25)23-21(26)16-5-6-16/h3-4,7-8,10,12,16,18-19H,5-6,9,11,13-14H2,1-2H3,(H,23,26)/t18-,19-/m0/s1
InChIKeyZQVGJUJSAPXGTQ-OALUTQOASA-N
XLogP2.70
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
3-fluoro-N-[1-[(3S,5S)-1-[(3-fluorophenyl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]benzamide
CID 146119095
N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119310
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146119025
3-fluoro-N-[1-[(3S,5S)-1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]benzamide
CID 146119096
N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119303
(3R)-N-(1-ethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95298742
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
CID 146119130
(2S,4S)-N-cyclopentyl-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 146119140
(2S,4S)-4-[4-(methanesulfonamido)pyrazol-1-yl]-2-(methoxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 146118989
N-[1-[(3S,5S)-1-[(4-chloro-3-fluorophenyl)methyl]-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-fluorobenzamide
CID 146119359

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide (CID 146119052) is N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide is COC[C@@H]1C[C@H](n2cc(NC(=O)C3CC3)cn2)CN1Cc1ccc(OC)cc1.
What is the InChIKey of N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is ZQVGJUJSAPXGTQ-OALUTQOASA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-14-19-9-18(13-24(19)11-15-3-7-20(28-2)8-4-15)25-12-17(10-22-25)23-21(26)16-5-6-16/h3-4,7-8,10,12,16,18-19H,5-6,9,11,13-14H2,1-2H3,(H,23,26)/t18-,19-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146119052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).