1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea

C17H25N5O3 — CID 78879671

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
SMILESCOCCOc1ccc(NC(=O)NCCCn2nc(C)cc2C)cn1
InChIInChI=1S/C17H25N5O3/c1-13-11-14(2)22(21-13)8-4-7-18-17(23)20-15-5-6-16(19-12-15)25-10-9-24-3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,18,20,23)
InChIKeyMLXVZAFCFIKXAV-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.13
Rot. Bonds9

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea (PubChem CID 78879671) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
PubChem CID78879671
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
SMILESCOCCOc1ccc(NC(=O)NCCCn2nc(C)cc2C)cn1
InChIInChI=1S/C17H25N5O3/c1-13-11-14(2)22(21-13)8-4-7-18-17(23)20-15-5-6-16(19-12-15)25-10-9-24-3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,18,20,23)
InChIKeyMLXVZAFCFIKXAV-UHFFFAOYSA-N
XLogP2.13
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethoxy)acetamide
CID 103601796
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987752
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 52910218
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975431
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111837531
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 78880670

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea (CID 78879671) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea is COCCOc1ccc(NC(=O)NCCCn2nc(C)cc2C)cn1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The InChIKey is MLXVZAFCFIKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13-11-14(2)22(21-13)8-4-7-18-17(23)20-15-5-6-16(19-12-15)25-10-9-24-3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,18,20,23).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea is sourced from PubChem (CID 78879671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).