1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea

C14H18N4O2 — CID 141089733

IUPAC1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
SMILESCOc1ccc(-n2ccc(N(C)C(=O)N(C)C)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-16(2)14(19)17(3)13-9-10-18(15-13)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3
InChIKeyRPWWQDFFOXMANG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea

1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea (PubChem CID 141089733) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
PubChem CID141089733
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
SMILESCOc1ccc(-n2ccc(N(C)C(=O)N(C)C)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-16(2)14(19)17(3)13-9-10-18(15-13)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3
InChIKeyRPWWQDFFOXMANG-UHFFFAOYSA-N
XLogP2.00
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 60571372
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
CID 21091141
1,1-diethyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 111073831
2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone
CID 150278634
(2S)-2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361697
N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107021

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea (CID 141089733) is 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea is COc1ccc(-n2ccc(N(C)C(=O)N(C)C)n2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
The InChIKey is RPWWQDFFOXMANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-16(2)14(19)17(3)13-9-10-18(15-13)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3.
What are the key properties of 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea has a molecular weight of 274.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 141089733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).