4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide

C19H24N4O2 — CID 125447624

IUPAC4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1C[C@@H](NC(=O)c2ccc(-c3cnn(CC)c3)cc2)CC1=O
InChIInChI=1S/C19H24N4O2/c1-3-9-22-13-17(10-18(22)24)21-19(25)15-7-5-14(6-8-15)16-11-20-23(4-2)12-16/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyDPMGWQITCMGHFQ-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.31
Rot. Bonds6

About 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide

4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide (PubChem CID 125447624) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
PubChem CID125447624
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1C[C@@H](NC(=O)c2ccc(-c3cnn(CC)c3)cc2)CC1=O
InChIInChI=1S/C19H24N4O2/c1-3-9-22-13-17(10-18(22)24)21-19(25)15-7-5-14(6-8-15)16-11-20-23(4-2)12-16/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyDPMGWQITCMGHFQ-KRWDZBQOSA-N
XLogP2.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131949418
4-(6-methoxy-2-pyridinyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 118767079
4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 125436273
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 126428125
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131
4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 125445471
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131944350
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide (CID 125447624) is 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide is CCCN1C[C@@H](NC(=O)c2ccc(-c3cnn(CC)c3)cc2)CC1=O.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The InChIKey is DPMGWQITCMGHFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-9-22-13-17(10-18(22)24)21-19(25)15-7-5-14(6-8-15)16-11-20-23(4-2)12-16/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125447624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).