1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea

C16H26N6O2 — CID 71992413

IUPAC1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccn(CCOC)n1)c1c(C)nn(C)c1C
InChIInChI=1S/C16H26N6O2/c1-6-13(15-11(2)19-21(4)12(15)3)17-16(23)18-14-7-8-22(20-14)9-10-24-5/h7-8,13H,6,9-10H2,1-5H3,(H2,17,18,20,23)
InChIKeyYMDWNOJZNNOXAS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.15
Rot. Bonds7

About 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea

1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea (PubChem CID 71992413) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
PubChem CID71992413
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccn(CCOC)n1)c1c(C)nn(C)c1C
InChIInChI=1S/C16H26N6O2/c1-6-13(15-11(2)19-21(4)12(15)3)17-16(23)18-14-7-8-22(20-14)9-10-24-5/h7-8,13H,6,9-10H2,1-5H3,(H2,17,18,20,23)
InChIKeyYMDWNOJZNNOXAS-UHFFFAOYSA-N
XLogP2.15
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea (CID 71992413) is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea is CCC(NC(=O)Nc1ccn(CCOC)n1)c1c(C)nn(C)c1C.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The InChIKey is YMDWNOJZNNOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-6-13(15-11(2)19-21(4)12(15)3)17-16(23)18-14-7-8-22(20-14)9-10-24-5/h7-8,13H,6,9-10H2,1-5H3,(H2,17,18,20,23).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea has a molecular weight of 334.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 71992413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).