2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide

C20H26N4O — CID 86791246

IUPAC2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2cccc(CNC(=O)C(C3CC3)N3CCCC3)c2)cn1
InChIInChI=1S/C20H26N4O/c1-23-14-18(13-22-23)17-6-4-5-15(11-17)12-21-20(25)19(16-7-8-16)24-9-2-3-10-24/h4-6,11,13-14,16,19H,2-3,7-10,12H2,1H3,(H,21,25)
InChIKeyRFEOZXKLZLSJEH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.58
Rot. Bonds6

About 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide

2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 86791246) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID86791246
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2cccc(CNC(=O)C(C3CC3)N3CCCC3)c2)cn1
InChIInChI=1S/C20H26N4O/c1-23-14-18(13-22-23)17-6-4-5-15(11-17)12-21-20(25)19(16-7-8-16)24-9-2-3-10-24/h4-6,11,13-14,16,19H,2-3,7-10,12H2,1H3,(H,21,25)
InChIKeyRFEOZXKLZLSJEH-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-{(3s,4r)-4-(Dimethylamino)-1-[(2-Fluoro-6-Methylphenyl)methyl]pyrrolidin-3-Yl}phenyl)-1h-Pyrazol-1-Yl]acetamide
CID 124220775
Ipazilide
CID 60650
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(1H-pyrazol-1-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895811
1-cyclopropyl-4-[({[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-2-pyrrolidinone
CID 16187256
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 24818965
(4-(1-(((1,5-dimethyl-1H-pyrazol-4-yl)methylamino)methyl)cyclohexyl)piperazin-1-yl)((3R,4S)-1-isopropyl-4-phenylpyrrolidin-3-yl)methanone
CID 44442965
(S)-1-((3R,4R)-1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile
CID 44443355
Nalpha-Benzoyl-N-(cyanomethyl)-3-(1-methyl-1H-pyrazol-4-yl)-L-phenylalaninamide
CID 45268499
N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 127026518
N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 127039576
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide (CID 86791246) is 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide is Cn1cc(-c2cccc(CNC(=O)C(C3CC3)N3CCCC3)c2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is RFEOZXKLZLSJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-14-18(13-22-23)17-6-4-5-15(11-17)12-21-20(25)19(16-7-8-16)24-9-2-3-10-24/h4-6,11,13-14,16,19H,2-3,7-10,12H2,1H3,(H,21,25).
What are the key properties of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).