1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea

C21H23N5O — CID 124846248

IUPAC1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
SMILESCc1cc(-n2cccn2)ccc1NC(=O)N[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C21H23N5O/c1-16-14-19(26-12-5-11-22-26)8-9-20(16)24-21(27)23-17-10-13-25(15-17)18-6-3-2-4-7-18/h2-9,11-12,14,17H,10,13,15H2,1H3,(H2,23,24,27)/t17-/m0/s1
InChIKeyINFISPYSIRHROJ-KRWDZBQOSA-N
MW361.45 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea

1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea (PubChem CID 124846248) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
PubChem CID124846248
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
SMILESCc1cc(-n2cccn2)ccc1NC(=O)N[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C21H23N5O/c1-16-14-19(26-12-5-11-22-26)8-9-20(16)24-21(27)23-17-10-13-25(15-17)18-6-3-2-4-7-18/h2-9,11-12,14,17H,10,13,15H2,1H3,(H2,23,24,27)/t17-/m0/s1
InChIKeyINFISPYSIRHROJ-KRWDZBQOSA-N
XLogP3.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 119046492
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-(2-bromophenyl)-3-[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]urea
CID 22327593
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579
1-[(3S)-1-phenylpyrrolidin-3-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 124507997
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111909423
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 124728722
1-(4-bromo-2-methylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989163
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea (CID 124846248) is 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea is Cc1cc(-n2cccn2)ccc1NC(=O)N[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is INFISPYSIRHROJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-14-19(26-12-5-11-22-26)8-9-20(16)24-21(27)23-17-10-13-25(15-17)18-6-3-2-4-7-18/h2-9,11-12,14,17H,10,13,15H2,1H3,(H2,23,24,27)/t17-/m0/s1.
What are the key properties of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea?
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 361.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124846248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).