3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea

C19H28N4O2 — CID 86999468

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccccc1C(C)N(C)C(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C19H28N4O2/c1-14-13-15(2)23(21-14)12-8-11-20-19(24)22(4)16(3)17-9-6-7-10-18(17)25-5/h6-7,9-10,13,16H,8,11-12H2,1-5H3,(H,20,24)
InChIKeyMWVHTRSVFUQZOX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.30
Rot. Bonds7

About 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea

3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 86999468) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea
PubChem CID86999468
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccccc1C(C)N(C)C(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C19H28N4O2/c1-14-13-15(2)23(21-14)12-8-11-20-19(24)22(4)16(3)17-9-6-7-10-18(17)25-5/h6-7,9-10,13,16H,8,11-12H2,1-5H3,(H,20,24)
InChIKeyMWVHTRSVFUQZOX-UHFFFAOYSA-N
XLogP3.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86999446
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111280553
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111280552
1-[1-(2-methoxyphenyl)ethyl]-1-methyl-3-(2-propan-2-ylsulfanylethyl)urea
CID 122566053
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86912648
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 119058607
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86999484
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 78804066
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 29218907

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea (CID 86999468) is 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea is COc1ccccc1C(C)N(C)C(=O)NCCCn1nc(C)cc1C.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is MWVHTRSVFUQZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-13-15(2)23(21-14)12-8-11-20-19(24)22(4)16(3)17-9-6-7-10-18(17)25-5/h6-7,9-10,13,16H,8,11-12H2,1-5H3,(H,20,24).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 344.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[1-(2-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 86999468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).