1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C14H22N6O2 — CID 71870343

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCCn1nc(C)c(NC(=O)Nc2ccn(CCOC)n2)c1C
InChIInChI=1S/C14H22N6O2/c1-5-20-11(3)13(10(2)17-20)16-14(21)15-12-6-7-19(18-12)8-9-22-4/h6-7H,5,8-9H2,1-4H3,(H2,15,16,18,21)
InChIKeyFDYHSROGMYUBCR-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.01
Rot. Bonds6

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

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 71870343) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID71870343
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCCn1nc(C)c(NC(=O)Nc2ccn(CCOC)n2)c1C
InChIInChI=1S/C14H22N6O2/c1-5-20-11(3)13(10(2)17-20)16-14(21)15-12-6-7-19(18-12)8-9-22-4/h6-7H,5,8-9H2,1-4H3,(H2,15,16,18,21)
InChIKeyFDYHSROGMYUBCR-UHFFFAOYSA-N
XLogP2.01
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 71870343) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is CCn1nc(C)c(NC(=O)Nc2ccn(CCOC)n2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is FDYHSROGMYUBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-5-20-11(3)13(10(2)17-20)16-14(21)15-12-6-7-19(18-12)8-9-22-4/h6-7H,5,8-9H2,1-4H3,(H2,15,16,18,21).
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 306.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71870343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).