1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea

C19H19BrN4O2 — CID 142269407

IUPAC1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C19H19BrN4O2/c1-24-18(17(20)12-22-24)14-4-3-5-15(10-14)23-19(25)21-11-13-6-8-16(26-2)9-7-13/h3-10,12H,11H2,1-2H3,(H2,21,23,25)
InChIKeyDCRJJGBQAAIKET-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.18
Rot. Bonds5

About 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea

1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 142269407) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID142269407
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C19H19BrN4O2/c1-24-18(17(20)12-22-24)14-4-3-5-15(10-14)23-19(25)21-11-13-6-8-16(26-2)9-7-13/h3-10,12H,11H2,1-2H3,(H2,21,23,25)
InChIKeyDCRJJGBQAAIKET-UHFFFAOYSA-N
XLogP4.18
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
(4-bromophenyl) N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]carbamate
CID 10195153
1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 146022095
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
CID 24815312
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 18615997
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
CID 11775306
ethyl 1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 47042107

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 142269407) is 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1.
What is the InChIKey of 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is DCRJJGBQAAIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-24-18(17(20)12-22-24)14-4-3-5-15(10-14)23-19(25)21-11-13-6-8-16(26-2)9-7-13/h3-10,12H,11H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 415.29 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 142269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).