N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide

C16H28N4O2 — CID 72866913

IUPACN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C16H28N4O2/c1-4-5-14-10-19(6-7-22-3)11-15(14)18-16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,4-7,10-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyPZJZBZXDEVOTPH-GJZGRUSLSA-N
MW308.43 g/mol
LogP1.05
Rot. Bonds8

About N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 72866913) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID72866913
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C16H28N4O2/c1-4-5-14-10-19(6-7-22-3)11-15(14)18-16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,4-7,10-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyPZJZBZXDEVOTPH-GJZGRUSLSA-N
XLogP1.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53626853
N-(1-cyclopropylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141841
N-[rel-(3R,4S)-1-(3-hydroxypropyl)-4-propyl-3-pyrrolidinyl]-2-(4-methyl-1H-pyrazol-1-yl)acetamide hydrochloride
CID 72842986
2-(4-methyl-1H-pyrazol-1-yl)-N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}acetamide hydrochloride
CID 72899125
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]pyrrolidin-2-one
CID 137951659
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56884099
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
N-{4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923204
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-2-(4-methyl-1H-pyrazol-1-YL)acetamide
CID 91923207
N-{7-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-7-azaspiro[3.5]nonan-1-YL}-2-methoxyacetamide
CID 124045343

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide (CID 72866913) is N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide is CCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)Cn1cc(C)cn1.
What is the InChIKey of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is PZJZBZXDEVOTPH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-5-14-10-19(6-7-22-3)11-15(14)18-16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,4-7,10-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 72866913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).