N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide

C19H26N4O3 — CID 95129086

IUPACN-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CC[C@H](n3nc(C)cc3C)C2)cc(OC)c1
InChIInChI=1S/C19H26N4O3/c1-13-7-14(2)23(21-13)16-5-6-22(11-16)12-19(24)20-15-8-17(25-3)10-18(9-15)26-4/h7-10,16H,5-6,11-12H2,1-4H3,(H,20,24)/t16-/m0/s1
InChIKeyQJKWWZIVQOOUGT-INIZCTEOSA-N
MW358.44 g/mol
LogP2.40
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95129086) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide
PubChem CID95129086
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CC[C@H](n3nc(C)cc3C)C2)cc(OC)c1
InChIInChI=1S/C19H26N4O3/c1-13-7-14(2)23(21-13)16-5-6-22(11-16)12-19(24)20-15-8-17(25-3)10-18(9-15)26-4/h7-10,16H,5-6,11-12H2,1-4H3,(H,20,24)/t16-/m0/s1
InChIKeyQJKWWZIVQOOUGT-INIZCTEOSA-N
XLogP2.40
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 124758316
N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 136511862
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
CID 91841564
3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 124847400
N-(3,5-dimethoxyphenyl)-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171337842
2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 95141116
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56781739
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 50958038
3-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylic acid
CID 124751915
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56781800
N-(3,4-dimethoxyphenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495459
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide (CID 95129086) is N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide is COc1cc(NC(=O)CN2CC[C@H](n3nc(C)cc3C)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is QJKWWZIVQOOUGT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-7-14(2)23(21-13)16-5-6-22(11-16)12-19(24)20-15-8-17(25-3)10-18(9-15)26-4/h7-10,16H,5-6,11-12H2,1-4H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.40, 6 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-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95129086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).