1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea

C19H25N5O4 — CID 72929033

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
SMILESCCn1cc(CNC(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cn1
InChIInChI=1S/C19H25N5O4/c1-2-24-13-15(12-21-24)11-20-19(26)22-16-4-3-5-17(10-16)28-14-18(25)23-6-8-27-9-7-23/h3-5,10,12-13H,2,6-9,11,14H2,1H3,(H2,20,22,26)
InChIKeyPSNBEEYEQQZFSC-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.46
Rot. Bonds7

About 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea

1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea (PubChem CID 72929033) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
PubChem CID72929033
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
SMILESCCn1cc(CNC(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cn1
InChIInChI=1S/C19H25N5O4/c1-2-24-13-15(12-21-24)11-20-19(26)22-16-4-3-5-17(10-16)28-14-18(25)23-6-8-27-9-7-23/h3-5,10,12-13H,2,6-9,11,14H2,1H3,(H2,20,22,26)
InChIKeyPSNBEEYEQQZFSC-UHFFFAOYSA-N
XLogP1.46
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537523
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075528
1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52522393
N-[(1-ethylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 103823635
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea (CID 72929033) is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea is CCn1cc(CNC(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
The InChIKey is PSNBEEYEQQZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-2-24-13-15(12-21-24)11-20-19(26)22-16-4-3-5-17(10-16)28-14-18(25)23-6-8-27-9-7-23/h3-5,10,12-13H,2,6-9,11,14H2,1H3,(H2,20,22,26).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea has a molecular weight of 387.44 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea is sourced from PubChem (CID 72929033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).