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

C18H23N5O2 — CID 126428125

IUPAC3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1C[C@@H](NC(=O)c2cccc(-c3cnn(C)c3N)c2)CC1=O
InChIInChI=1S/C18H23N5O2/c1-3-7-23-11-14(9-16(23)24)21-18(25)13-6-4-5-12(8-13)15-10-20-22(2)17(15)19/h4-6,8,10,14H,3,7,9,11,19H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyLAJRJHWTYNONCQ-AWEZNQCLSA-N
MW341.42 g/mol
LogP1.41
Rot. Bonds5

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

3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide (PubChem CID 126428125) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
PubChem CID126428125
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1C[C@@H](NC(=O)c2cccc(-c3cnn(C)c3N)c2)CC1=O
InChIInChI=1S/C18H23N5O2/c1-3-7-23-11-14(9-16(23)24)21-18(25)13-6-4-5-12(8-13)15-10-20-22(2)17(15)19/h4-6,8,10,14H,3,7,9,11,19H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyLAJRJHWTYNONCQ-AWEZNQCLSA-N
XLogP1.41
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 125447624
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
CID 125159905
4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131949418
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126443376
4-(6-methoxy-2-pyridinyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 118767079
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
CID 126447514
2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131944350
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
CID 125157875
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide (CID 126428125) is 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide is CCCN1C[C@@H](NC(=O)c2cccc(-c3cnn(C)c3N)c2)CC1=O.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The InChIKey is LAJRJHWTYNONCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-7-23-11-14(9-16(23)24)21-18(25)13-6-4-5-12(8-13)15-10-20-22(2)17(15)19/h4-6,8,10,14H,3,7,9,11,19H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide has a molecular weight of 341.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126428125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).