[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea

C17H23N5O3 — CID 144629265

IUPAC[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea
SMILESCc1c(OCC2CN(C)CCO2)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C17H23N5O3/c1-12-15(19-17(18)23)22(13-6-4-3-5-7-13)20-16(12)25-11-14-10-21(2)8-9-24-14/h3-7,14H,8-11H2,1-2H3,(H3,18,19,23)
InChIKeyGMLPBMYEUQCVKY-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.38
Rot. Bonds5

About [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea

[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea (PubChem CID 144629265) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea
PubChem CID144629265
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea
SMILESCc1c(OCC2CN(C)CCO2)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C17H23N5O3/c1-12-15(19-17(18)23)22(13-6-4-3-5-7-13)20-16(12)25-11-14-10-21(2)8-9-24-14/h3-7,14H,8-11H2,1-2H3,(H3,18,19,23)
InChIKeyGMLPBMYEUQCVKY-UHFFFAOYSA-N
XLogP1.38
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea?
The IUPAC name of [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea (CID 144629265) is [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea is Cc1c(OCC2CN(C)CCO2)nn(-c2ccccc2)c1NC(N)=O.
What is the InChIKey of [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea?
The InChIKey is GMLPBMYEUQCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-15(19-17(18)23)22(13-6-4-3-5-7-13)20-16(12)25-11-14-10-21(2)8-9-24-14/h3-7,14H,8-11H2,1-2H3,(H3,18,19,23).
What are the key properties of [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea?
[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea has a molecular weight of 345.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 144629265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).