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

C14H25N5O — CID 47215253

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCN2CCCC(C)C2)n(C)n1
InChIInChI=1S/C14H25N5O/c1-11-5-4-7-19(10-11)8-6-15-14(20)16-13-9-12(2)17-18(13)3/h9,11H,4-8,10H2,1-3H3,(H2,15,16,20)
InChIKeySIYXMEITZMMUAG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.58
Rot. Bonds4

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

1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 47215253) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID47215253
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCN2CCCC(C)C2)n(C)n1
InChIInChI=1S/C14H25N5O/c1-11-5-4-7-19(10-11)8-6-15-14(20)16-13-9-12(2)17-18(13)3/h9,11H,4-8,10H2,1-3H3,(H2,15,16,20)
InChIKeySIYXMEITZMMUAG-UHFFFAOYSA-N
XLogP1.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 47215253) is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is Cc1cc(NC(=O)NCCN2CCCC(C)C2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is SIYXMEITZMMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-5-4-7-19(10-11)8-6-15-14(20)16-13-9-12(2)17-18(13)3/h9,11H,4-8,10H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 279.39 g/mol, XLogP of 1.58, 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-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 47215253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).