N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide

C17H20N4O2 — CID 131950301

IUPACN-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
SMILESCC1CCC(=O)N1c1cccc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C17H20N4O2/c1-13-6-7-17(23)21(13)15-5-2-4-14(12-15)19-16(22)8-11-20-10-3-9-18-20/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,19,22)
InChIKeySAJNYXOPQNEUJL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide

N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide (PubChem CID 131950301) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
PubChem CID131950301
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
SMILESCC1CCC(=O)N1c1cccc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C17H20N4O2/c1-13-6-7-17(23)21(13)15-5-2-4-14(12-15)19-16(22)8-11-20-10-3-9-18-20/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,19,22)
InChIKeySAJNYXOPQNEUJL-UHFFFAOYSA-N
XLogP2.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
3-(2-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
CID 131933787
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
CID 24703120
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide (CID 131950301) is N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide is CC1CCC(=O)N1c1cccc(NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is SAJNYXOPQNEUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-6-7-17(23)21(13)15-5-2-4-14(12-15)19-16(22)8-11-20-10-3-9-18-20/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,19,22).
What are the key properties of N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide?
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 131950301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).