2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide

C13H20N4O2 — CID 164641681

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide
SMILESCCN1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)CC1=O
InChIInChI=1S/C13H20N4O2/c1-4-17-7-10(5-13(17)19)14-12(18)6-11-8(2)15-16-9(11)3/h10H,4-7H2,1-3H3,(H,14,18)(H,15,16)/t10-/m0/s1
InChIKeyKUOIICISKSQUCL-JTQLQIEISA-N
MW264.33 g/mol
LogP0.31
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 164641681) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide
PubChem CID164641681
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide
SMILESCCN1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)CC1=O
InChIInChI=1S/C13H20N4O2/c1-4-17-7-10(5-13(17)19)14-12(18)6-11-8(2)15-16-9(11)3/h10H,4-7H2,1-3H3,(H,14,18)(H,15,16)/t10-/m0/s1
InChIKeyKUOIICISKSQUCL-JTQLQIEISA-N
XLogP0.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72869349
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950848
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-{[1-(2-methoxyethyl)piperidin-4-YL]methyl}-N-methylacetamide
CID 70747717
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-2-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 72918107
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
CID 91908906
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide (CID 164641681) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide is CCN1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)CC1=O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is KUOIICISKSQUCL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-17-7-10(5-13(17)19)14-12(18)6-11-8(2)15-16-9(11)3/h10H,4-7H2,1-3H3,(H,14,18)(H,15,16)/t10-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164641681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).