1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea

C20H19BrN4O — CID 71812971

IUPAC1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cc(C2CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H19BrN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26)
InChIKeyARUYFYQYUODUCQ-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.22
Rot. Bonds5

About 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea

1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea (PubChem CID 71812971) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea
PubChem CID71812971
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cc(C2CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H19BrN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26)
InChIKeyARUYFYQYUODUCQ-UHFFFAOYSA-N
XLogP5.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-Bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)urea
CID 2810116
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
2-Benzyl-5-(4-bromophenyl)pyrazol-3-amine
CID 693933
1-Benzyl-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 11057181
N-(3-tert-butyl-1-methyl-5-pyrazolyl)-N'-(4-(4-aminophenyl)methylphenyl)urea
CID 44286314
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
CID 10948445
1-(3-Tert-butyl-1-cyclohexylpyrazol-5-yl)-3-phenylurea
CID 10980735
1-Biphenyl-3-yl-3-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-urea
CID 44304594
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(3,5-dibromo-phenyl)-urea
CID 44305012
1-[3-(Cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 70789111

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea?
The IUPAC name of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea (CID 71812971) is 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea.
What is the SMILES notation for 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea?
The canonical SMILES for 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea is O=C(Nc1cccc(Br)c1)Nc1cc(C2CC2)nn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea?
The InChIKey is ARUYFYQYUODUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26).
What are the key properties of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea?
1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea has a molecular weight of 411.30 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea is sourced from PubChem (CID 71812971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).