1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea

C14H25N5O — CID 47086100

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea
SMILESCCN1CCCC(CNC(=O)Nc2cc(C)nn2C)C1
InChIInChI=1S/C14H25N5O/c1-4-19-7-5-6-12(10-19)9-15-14(20)16-13-8-11(2)17-18(13)3/h8,12H,4-7,9-10H2,1-3H3,(H2,15,16,20)
InChIKeyBILCIKMUQZKVTR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.58
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea (PubChem CID 47086100) 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-[(1-ethylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea
PubChem CID47086100
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea
SMILESCCN1CCCC(CNC(=O)Nc2cc(C)nn2C)C1
InChIInChI=1S/C14H25N5O/c1-4-19-7-5-6-12(10-19)9-15-14(20)16-13-8-11(2)17-18(13)3/h8,12H,4-7,9-10H2,1-3H3,(H2,15,16,20)
InChIKeyBILCIKMUQZKVTR-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-[(1-ethylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea (CID 47086100) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea is CCN1CCCC(CNC(=O)Nc2cc(C)nn2C)C1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea?
The InChIKey is BILCIKMUQZKVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-19-7-5-6-12(10-19)9-15-14(20)16-13-8-11(2)17-18(13)3/h8,12H,4-7,9-10H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]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-[(1-ethylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 47086100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).