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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Related Compounds

N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
N-cyclohexyl-1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768480
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
CID 165415136
KDR Kinase Inhibitor, 3
CID 139402916
Pyrrolidinyl urea derivative 11
CID 118128775
N-(2-cyclohex-1-en-1-ylethyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3242249
N-Cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482293
N-Cycloheptyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482298
N-[(1S,2R)-2-methylcyclohexyl]-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 155515209
3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 843498
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
CID 46228443

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).