N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C15H26N4O — CID 70782992

IUPACN-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCCn1cc(CN2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)cn1
InChIInChI=1S/C15H26N4O/c1-5-19-8-13(6-16-19)7-18-9-14(11(2)3)15(10-18)17-12(4)20/h6,8,11,14-15H,5,7,9-10H2,1-4H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyINHBYKSGVOPMGW-LSDHHAIUSA-N
MW278.40 g/mol
LogP1.50
Rot. Bonds5

About N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70782992) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70782992
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCCn1cc(CN2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)cn1
InChIInChI=1S/C15H26N4O/c1-5-19-8-13(6-16-19)7-18-9-14(11(2)3)15(10-18)17-12(4)20/h6,8,11,14-15H,5,7,9-10H2,1-4H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyINHBYKSGVOPMGW-LSDHHAIUSA-N
XLogP1.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 133128197
N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156606607
N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129338235
N-[1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129003877
N-[(3aS,5R,6R,7aR)-2-[[1-(4-butylphenyl)pyrazol-4-yl]methyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172667707
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133062
N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide
CID 72916914
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]urea
CID 72900456
2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423313
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
3-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]propanamide;hydrochloride
CID 154898295
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70782992) is N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CCn1cc(CN2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)cn1.
What is the InChIKey of N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is INHBYKSGVOPMGW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-19-8-13(6-16-19)7-18-9-14(11(2)3)15(10-18)17-12(4)20/h6,8,11,14-15H,5,7,9-10H2,1-4H3,(H,17,20)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70782992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).