N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide

C14H24N4O3 — CID 110133062

IUPACN-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCCCn1cc(CN2C[C@@H](O)[C@H](NC(=O)COC)C2)cn1
InChIInChI=1S/C14H24N4O3/c1-3-4-18-7-11(5-15-18)6-17-8-12(13(19)9-17)16-14(20)10-21-2/h5,7,12-13,19H,3-4,6,8-10H2,1-2H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyCQUSKZOMUXTSGZ-CHWSQXEVSA-N
MW296.37 g/mol
LogP-0.40
Rot. Bonds7

About N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 110133062) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID110133062
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCCCn1cc(CN2C[C@@H](O)[C@H](NC(=O)COC)C2)cn1
InChIInChI=1S/C14H24N4O3/c1-3-4-18-7-11(5-15-18)6-17-8-12(13(19)9-17)16-14(20)10-21-2/h5,7,12-13,19H,3-4,6,8-10H2,1-2H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyCQUSKZOMUXTSGZ-CHWSQXEVSA-N
XLogP-0.40
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133407
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133028
N-[(3S,4R)-1-[(1-cyclobutylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 167742878
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70782992
N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 129458491
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784
1-[(1-propylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103573389
N-[(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133048
1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 126787487
N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 133128197

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide (CID 110133062) is N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide is CCCn1cc(CN2C[C@@H](O)[C@H](NC(=O)COC)C2)cn1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is CQUSKZOMUXTSGZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-4-18-7-11(5-15-18)6-17-8-12(13(19)9-17)16-14(20)10-21-2/h5,7,12-13,19H,3-4,6,8-10H2,1-2H3,(H,16,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 296.37 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 110133062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).