N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

C19H26N4O — CID 133128197

IUPACN-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCCn1cc(CN2C[C@H](NC(C)=O)[C@@H](c3ccc(C)cc3)C2)cn1
InChIInChI=1S/C19H26N4O/c1-4-23-11-16(9-20-23)10-22-12-18(19(13-22)21-15(3)24)17-7-5-14(2)6-8-17/h5-9,11,18-19H,4,10,12-13H2,1-3H3,(H,21,24)/t18-,19+/m1/s1
InChIKeyMYUZTGZPCOGDQR-MOPGFXCFSA-N
MW326.44 g/mol
LogP2.32
Rot. Bonds5

About N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 133128197) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
PubChem CID133128197
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCCn1cc(CN2C[C@H](NC(C)=O)[C@@H](c3ccc(C)cc3)C2)cn1
InChIInChI=1S/C19H26N4O/c1-4-23-11-16(9-20-23)10-22-12-18(19(13-22)21-15(3)24)17-7-5-14(2)6-8-17/h5-9,11,18-19H,4,10,12-13H2,1-3H3,(H,21,24)/t18-,19+/m1/s1
InChIKeyMYUZTGZPCOGDQR-MOPGFXCFSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 164638014
N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70755633
N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70782992
N-[(3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 72838705
methyl 3-[[3-acetamido-4-(4-methylphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 78084193
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]acetamide
CID 72894365
N-[(3S,4R)-1-[(4-acetamidophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70735692
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 164631404
N-[(3S,4R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70719516
N-[(3S,4R)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70771739
N-[1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 78086979

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (CID 133128197) is N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is CCn1cc(CN2C[C@H](NC(C)=O)[C@@H](c3ccc(C)cc3)C2)cn1.
What is the InChIKey of N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is MYUZTGZPCOGDQR-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-23-11-16(9-20-23)10-22-12-18(19(13-22)21-15(3)24)17-7-5-14(2)6-8-17/h5-9,11,18-19H,4,10,12-13H2,1-3H3,(H,21,24)/t18-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133128197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).