1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C19H25N5O2 — CID 86987752

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCc1cc(C)n(CCCNC(=O)Nc2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C19H25N5O2/c1-14-13-15(2)24(22-14)12-4-10-20-19(26)21-16-6-8-17(9-7-16)23-11-3-5-18(23)25/h6-9,13H,3-5,10-12H2,1-2H3,(H2,20,21,26)
InChIKeyIVBVHSHTNRNMAX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.84
Rot. Bonds6

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 86987752) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID86987752
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCc1cc(C)n(CCCNC(=O)Nc2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C19H25N5O2/c1-14-13-15(2)24(22-14)12-4-10-20-19(26)21-16-6-8-17(9-7-16)23-11-3-5-18(23)25/h6-9,13H,3-5,10-12H2,1-2H3,(H2,20,21,26)
InChIKeyIVBVHSHTNRNMAX-UHFFFAOYSA-N
XLogP2.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111279563
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111278122
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97443663
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 78879671
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 86987752) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is Cc1cc(C)n(CCCNC(=O)Nc2ccc(N3CCCC3=O)cc2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is IVBVHSHTNRNMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-13-15(2)24(22-14)12-4-10-20-19(26)21-16-6-8-17(9-7-16)23-11-3-5-18(23)25/h6-9,13H,3-5,10-12H2,1-2H3,(H2,20,21,26).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 86987752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).