1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea

C15H27N5O — CID 51080593

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea
SMILESCc1cc(NC(=O)NCC(C)N2CCCCC2C)n(C)n1
InChIInChI=1S/C15H27N5O/c1-11-9-14(19(4)18-11)17-15(21)16-10-13(3)20-8-6-5-7-12(20)2/h9,12-13H,5-8,10H2,1-4H3,(H2,16,17,21)
InChIKeyPEUPFTRNWSVJJT-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.11
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 51080593) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID51080593
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea
SMILESCc1cc(NC(=O)NCC(C)N2CCCCC2C)n(C)n1
InChIInChI=1S/C15H27N5O/c1-11-9-14(19(4)18-11)17-15(21)16-10-13(3)20-8-6-5-7-12(20)2/h9,12-13H,5-8,10H2,1-4H3,(H2,16,17,21)
InChIKeyPEUPFTRNWSVJJT-UHFFFAOYSA-N
XLogP2.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
CID 129418976
1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 129368276
1-[(2S)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 97092342
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
CID 47093320
1-(3,4-dichlorophenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076905
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
1-(2,6-dimethylphenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076889
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
CID 94078524

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea (CID 51080593) is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea is Cc1cc(NC(=O)NCC(C)N2CCCCC2C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is PEUPFTRNWSVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-9-14(19(4)18-11)17-15(21)16-10-13(3)20-8-6-5-7-12(20)2/h9,12-13H,5-8,10H2,1-4H3,(H2,16,17,21).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 293.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 51080593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).