N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide

C19H26N4O3 — CID 136511862

IUPACN-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCC(Cc3cnn(C)c3)C2)cc(OC)c1
InChIInChI=1S/C19H26N4O3/c1-22-11-15(10-20-22)6-14-4-5-23(12-14)13-19(24)21-16-7-17(25-2)9-18(8-16)26-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,24)
InChIKeyPUYKUDJGFFXAGV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.94
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 136511862) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID136511862
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCC(Cc3cnn(C)c3)C2)cc(OC)c1
InChIInChI=1S/C19H26N4O3/c1-22-11-15(10-20-22)6-14-4-5-23(12-14)13-19(24)21-16-7-17(25-2)9-18(8-16)26-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,24)
InChIKeyPUYKUDJGFFXAGV-UHFFFAOYSA-N
XLogP1.94
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 96522491
N-(3,5-dimethoxyphenyl)-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171337842
N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide
CID 95129086
2-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124865666
(3S)-N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97003801
N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865837
1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
CID 111565328
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 100860601
[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 98799655
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 18137192

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide (CID 136511862) is N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide is COc1cc(NC(=O)CN2CCC(Cc3cnn(C)c3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is PUYKUDJGFFXAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22-11-15(10-20-22)6-14-4-5-23(12-14)13-19(24)21-16-7-17(25-2)9-18(8-16)26-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 136511862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).