1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea

C11H20N4O2 — CID 114255726

IUPAC1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
SMILESCCN(CC)C(=O)NCc1cc(OC)n(C)n1
InChIInChI=1S/C11H20N4O2/c1-5-15(6-2)11(16)12-8-9-7-10(17-4)14(3)13-9/h7H,5-6,8H2,1-4H3,(H,12,16)
InChIKeyHJEAUORYURBZPR-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.98
Rot. Bonds5

About 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea

1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea (PubChem CID 114255726) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
PubChem CID114255726
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
SMILESCCN(CC)C(=O)NCc1cc(OC)n(C)n1
InChIInChI=1S/C11H20N4O2/c1-5-15(6-2)11(16)12-8-9-7-10(17-4)14(3)13-9/h7H,5-6,8H2,1-4H3,(H,12,16)
InChIKeyHJEAUORYURBZPR-UHFFFAOYSA-N
XLogP0.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8R)-8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136019511
2-(3-methoxy-1-methylpyrazol-5-yl)-8-methyl-4-prop-2-enyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136025990
(8S)-8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136026133
8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136086901
1,1-Diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea
CID 75443228
(8R)-8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 123682558
8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 123959520
N-hexyl-3-methoxy-5-methylpyrazole-1-carboxamide
CID 132597457
N-hexyl-5-methoxy-3-methylpyrazole-1-carboxamide
CID 134846788
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 114255784
6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
CID 114256777
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea (CID 114255726) is 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea is CCN(CC)C(=O)NCc1cc(OC)n(C)n1.
What is the InChIKey of 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
The InChIKey is HJEAUORYURBZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-15(6-2)11(16)12-8-9-7-10(17-4)14(3)13-9/h7H,5-6,8H2,1-4H3,(H,12,16).
What are the key properties of 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea has a molecular weight of 240.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 114255726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).