1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea

C17H22N6O2 — CID 125157875

IUPAC1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
SMILESCCCN1C[C@H](NC(=O)Nc2cc(-c3cccnc3)nn2C)CC1=O
InChIInChI=1S/C17H22N6O2/c1-3-7-23-11-13(8-16(23)24)19-17(25)20-15-9-14(21-22(15)2)12-5-4-6-18-10-12/h4-6,9-10,13H,3,7-8,11H2,1-2H3,(H2,19,20,25)/t13-/m1/s1
InChIKeyRFMGRGGCUDMWJL-CYBMUJFWSA-N
MW342.40 g/mol
LogP1.61
Rot. Bonds5

About 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea (PubChem CID 125157875) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
PubChem CID125157875
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
SMILESCCCN1C[C@H](NC(=O)Nc2cc(-c3cccnc3)nn2C)CC1=O
InChIInChI=1S/C17H22N6O2/c1-3-7-23-11-13(8-16(23)24)19-17(25)20-15-9-14(21-22(15)2)12-5-4-6-18-10-12/h4-6,9-10,13H,3,7-8,11H2,1-2H3,(H2,19,20,25)/t13-/m1/s1
InChIKeyRFMGRGGCUDMWJL-CYBMUJFWSA-N
XLogP1.61
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea (CID 125157875) is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea is CCCN1C[C@H](NC(=O)Nc2cc(-c3cccnc3)nn2C)CC1=O.
What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
The InChIKey is RFMGRGGCUDMWJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-7-23-11-13(8-16(23)24)19-17(25)20-15-9-14(21-22(15)2)12-5-4-6-18-10-12/h4-6,9-10,13H,3,7-8,11H2,1-2H3,(H2,19,20,25)/t13-/m1/s1.
What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea has a molecular weight of 342.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea is sourced from PubChem (CID 125157875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).