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

C16H26N6O2 — CID 71992414

IUPAC1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCOCCn1ccc(NC(=O)NC(C)Cc2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H26N6O2/c1-11(10-14-12(2)19-21(4)13(14)3)17-16(23)18-15-6-7-22(20-15)8-9-24-5/h6-7,11H,8-10H2,1-5H3,(H2,17,18,20,23)
InChIKeyMONWFMLZKCWKQP-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.63
Rot. Bonds7

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

1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 71992414) 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)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID71992414
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)propan-2-yl]urea
SMILESCOCCn1ccc(NC(=O)NC(C)Cc2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H26N6O2/c1-11(10-14-12(2)19-21(4)13(14)3)17-16(23)18-15-6-7-22(20-15)8-9-24-5/h6-7,11H,8-10H2,1-5H3,(H2,17,18,20,23)
InChIKeyMONWFMLZKCWKQP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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)propan-2-yl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 71992414) is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is COCCn1ccc(NC(=O)NC(C)Cc2c(C)nn(C)c2C)n1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is MONWFMLZKCWKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-11(10-14-12(2)19-21(4)13(14)3)17-16(23)18-15-6-7-22(20-15)8-9-24-5/h6-7,11H,8-10H2,1-5H3,(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)propan-2-yl]urea?
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 334.42 g/mol, XLogP of 1.63, 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)propan-2-yl]urea is sourced from PubChem (CID 71992414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).