N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide

C19H24N4O2 — CID 159166620

IUPACN-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NCc1cccc(CC(=O)N2CCCC2)c1
InChIInChI=1S/C19H24N4O2/c24-18(7-6-17-13-21-22-14-17)20-12-16-5-3-4-15(10-16)11-19(25)23-8-1-2-9-23/h3-5,10,13-14H,1-2,6-9,11-12H2,(H,20,24)(H,21,22)
InChIKeyKLDPHJAIRKTAMM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.82
Rot. Bonds7

About N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide

N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 159166620) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID159166620
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NCc1cccc(CC(=O)N2CCCC2)c1
InChIInChI=1S/C19H24N4O2/c24-18(7-6-17-13-21-22-14-17)20-12-16-5-3-4-15(10-16)11-19(25)23-8-1-2-9-23/h3-5,10,13-14H,1-2,6-9,11-12H2,(H,20,24)(H,21,22)
InChIKeyKLDPHJAIRKTAMM-UHFFFAOYSA-N
XLogP1.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
1-[3-[4-[2-(1H-pyrazol-4-yl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 167794977
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131890548
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
4,4,4-trifluoro-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 91780010
1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134704915
3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131919090
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 159166620) is N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide is O=C(CCc1cn[nH]c1)NCc1cccc(CC(=O)N2CCCC2)c1.
What is the InChIKey of N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is KLDPHJAIRKTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(7-6-17-13-21-22-14-17)20-12-16-5-3-4-15(10-16)11-19(25)23-8-1-2-9-23/h3-5,10,13-14H,1-2,6-9,11-12H2,(H,20,24)(H,21,22).
What are the key properties of N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 159166620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).