1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea

C20H19BrN4O — CID 70789183

IUPAC1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H19BrN4O/c1-13-11-17(13)18-12-19(25(24-18)16-5-3-2-4-6-16)23-20(26)22-15-9-7-14(21)8-10-15/h2-10,12-13,17H,11H2,1H3,(H2,22,23,26)
InChIKeyQVWLWICBLLCJMQ-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.40
Rot. Bonds4

About 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea

1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (PubChem CID 70789183) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
PubChem CID70789183
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H19BrN4O/c1-13-11-17(13)18-12-19(25(24-18)16-5-3-2-4-6-16)23-20(26)22-15-9-7-14(21)8-10-15/h2-10,12-13,17H,11H2,1H3,(H2,22,23,26)
InChIKeyQVWLWICBLLCJMQ-UHFFFAOYSA-N
XLogP5.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789138
N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide
CID 124593195
6-imidazol-1-yl-N-[3-[(1R,2S)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
CID 124593484
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
2-methyl-N-[3-[(1R,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 124593746
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
3-[(1R,2R)-2-methylcyclopropyl]-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazol-5-amine
CID 97253886
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 1052133
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (CID 70789183) is 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is CC1CC1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is QVWLWICBLLCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-13-11-17(13)18-12-19(25(24-18)16-5-3-2-4-6-16)23-20(26)22-15-9-7-14(21)8-10-15/h2-10,12-13,17H,11H2,1H3,(H2,22,23,26).
What are the key properties of 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 411.30 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 70789183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).