1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea

C20H22N6O — CID 124854450

IUPAC1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
SMILESCc1cc(-n2cccn2)ccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C20H22N6O/c1-15-13-17(26-11-4-10-22-26)6-7-18(15)24-20(27)23-16-8-12-25(14-16)19-5-2-3-9-21-19/h2-7,9-11,13,16H,8,12,14H2,1H3,(H2,23,24,27)/t16-/m1/s1
InChIKeyXIJIXDISBZMOAP-MRXNPFEDSA-N
MW362.44 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea

1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea (PubChem CID 124854450) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
PubChem CID124854450
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
SMILESCc1cc(-n2cccn2)ccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C20H22N6O/c1-15-13-17(26-11-4-10-22-26)6-7-18(15)24-20(27)23-16-8-12-25(14-16)19-5-2-3-9-21-19/h2-7,9-11,13,16H,8,12,14H2,1H3,(H2,23,24,27)/t16-/m1/s1
InChIKeyXIJIXDISBZMOAP-MRXNPFEDSA-N
XLogP2.98
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 119046492
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 124846248
1-(4-bromo-2-methylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989163
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75433407
1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97335866
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
CID 124568770
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea (CID 124854450) is 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea is Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1.
What is the InChIKey of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The InChIKey is XIJIXDISBZMOAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-13-17(26-11-4-10-22-26)6-7-18(15)24-20(27)23-16-8-12-25(14-16)19-5-2-3-9-21-19/h2-7,9-11,13,16H,8,12,14H2,1H3,(H2,23,24,27)/t16-/m1/s1.
What are the key properties of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea has a molecular weight of 362.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124854450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).