[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea

C15H19N5O — CID 123257754

IUPAC[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
SMILESCc1c([C@H]2CCCN2)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C15H19N5O/c1-10-13(12-8-5-9-17-12)19-20(14(10)18-15(16)21)11-6-3-2-4-7-11/h2-4,6-7,12,17H,5,8-9H2,1H3,(H3,16,18,21)/t12-/m1/s1
InChIKeyOKNOQFRKWSWLDS-GFCCVEGCSA-N
MW285.35 g/mol
LogP2.10
Rot. Bonds3

About [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea

[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea (PubChem CID 123257754) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
PubChem CID123257754
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
SMILESCc1c([C@H]2CCCN2)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C15H19N5O/c1-10-13(12-8-5-9-17-12)19-20(14(10)18-15(16)21)11-6-3-2-4-7-11/h2-4,6-7,12,17H,5,8-9H2,1H3,(H3,16,18,21)/t12-/m1/s1
InChIKeyOKNOQFRKWSWLDS-GFCCVEGCSA-N
XLogP2.10
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea?
The IUPAC name of [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea (CID 123257754) is [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea.
What is the SMILES notation for [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea?
The canonical SMILES for [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea is Cc1c([C@H]2CCCN2)nn(-c2ccccc2)c1NC(N)=O.
What is the InChIKey of [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea?
The InChIKey is OKNOQFRKWSWLDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-13(12-8-5-9-17-12)19-20(14(10)18-15(16)21)11-6-3-2-4-7-11/h2-4,6-7,12,17H,5,8-9H2,1H3,(H3,16,18,21)/t12-/m1/s1.
What are the key properties of [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea?
[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 123257754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).