1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea

C16H29N5O2 — CID 51080221

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
SMILESCc1cc(NC(=O)NCC(CC(C)C)N2CCOCC2)n(C)n1
InChIInChI=1S/C16H29N5O2/c1-12(2)9-14(21-5-7-23-8-6-21)11-17-16(22)18-15-10-13(3)19-20(15)4/h10,12,14H,5-9,11H2,1-4H3,(H2,17,18,22)
InChIKeyNVSGQAKXOHBCJZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.60
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea (PubChem CID 51080221) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
PubChem CID51080221
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
SMILESCc1cc(NC(=O)NCC(CC(C)C)N2CCOCC2)n(C)n1
InChIInChI=1S/C16H29N5O2/c1-12(2)9-14(21-5-7-23-8-6-21)11-17-16(22)18-15-10-13(3)19-20(15)4/h10,12,14H,5-9,11H2,1-4H3,(H2,17,18,22)
InChIKeyNVSGQAKXOHBCJZ-UHFFFAOYSA-N
XLogP1.60
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea (CID 51080221) is 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea is Cc1cc(NC(=O)NCC(CC(C)C)N2CCOCC2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
The InChIKey is NVSGQAKXOHBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-12(2)9-14(21-5-7-23-8-6-21)11-17-16(22)18-15-10-13(3)19-20(15)4/h10,12,14H,5-9,11H2,1-4H3,(H2,17,18,22).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea has a molecular weight of 323.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea is sourced from PubChem (CID 51080221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).