(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C19H23N5O3 — CID 9416516

IUPAC(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2C[C@@H](C(=O)NNC(=O)Cn3nc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C19H23N5O3/c1-12-4-6-16(7-5-12)23-10-15(9-18(23)26)19(27)21-20-17(25)11-24-14(3)8-13(2)22-24/h4-8,15H,9-11H2,1-3H3,(H,20,25)(H,21,27)/t15-/m0/s1
InChIKeyVYVFWRDKOFDWPG-HNNXBMFYSA-N
MW369.43 g/mol
LogP1.01
Rot. Bonds4

About (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 9416516) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID9416516
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2C[C@@H](C(=O)NNC(=O)Cn3nc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C19H23N5O3/c1-12-4-6-16(7-5-12)23-10-15(9-18(23)26)19(27)21-20-17(25)11-24-14(3)8-13(2)22-24/h4-8,15H,9-11H2,1-3H3,(H,20,25)(H,21,27)/t15-/m0/s1
InChIKeyVYVFWRDKOFDWPG-HNNXBMFYSA-N
XLogP1.01
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 51255236
1-[(2-chlorophenyl)methyl]-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 24819671
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 851670
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9471840
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 9416516) is (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(N2C[C@@H](C(=O)NNC(=O)Cn3nc(C)cc3C)CC2=O)cc1.
What is the InChIKey of (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is VYVFWRDKOFDWPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-4-6-16(7-5-12)23-10-15(9-18(23)26)19(27)21-20-17(25)11-24-14(3)8-13(2)22-24/h4-8,15H,9-11H2,1-3H3,(H,20,25)(H,21,27)/t15-/m0/s1.
What are the key properties of (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 369.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 9416516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).