1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea

C20H18BrFN4O — CID 167941405

IUPAC1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccnn1Cc1ccc(F)cc1)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H18BrFN4O/c21-16-5-3-15(4-6-16)20(10-11-20)25-19(27)24-18-9-12-23-26(18)13-14-1-7-17(22)8-2-14/h1-9,12H,10-11,13H2,(H2,24,25,27)
InChIKeyNXNCYSZZCNKAAM-UHFFFAOYSA-N
MW429.29 g/mol
LogP4.64
Rot. Bonds5

About 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea

1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea (PubChem CID 167941405) has the molecular formula C20H18BrFN4O and a molecular weight of 429.29 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
PubChem CID167941405
Molecular FormulaC20H18BrFN4O
Molecular Weight429.29 g/mol
Exact Mass428.06
IUPAC Name1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccnn1Cc1ccc(F)cc1)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H18BrFN4O/c21-16-5-3-15(4-6-16)20(10-11-20)25-19(27)24-18-9-12-23-26(18)13-14-1-7-17(22)8-2-14/h1-9,12H,10-11,13H2,(H2,24,25,27)
InChIKeyNXNCYSZZCNKAAM-UHFFFAOYSA-N
XLogP4.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 7504750
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27831482
1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090400
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935618
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea (CID 167941405) is 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea is O=C(Nc1ccnn1Cc1ccc(F)cc1)NC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is NXNCYSZZCNKAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O/c21-16-5-3-15(4-6-16)20(10-11-20)25-19(27)24-18-9-12-23-26(18)13-14-1-7-17(22)8-2-14/h1-9,12H,10-11,13H2,(H2,24,25,27).
What are the key properties of 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 429.29 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclopropyl]-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 167941405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).