trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide

C15H16BrN3O — CID 94811638

IUPACtrans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C15H16BrN3O/c1-9-7-14(19(2)18-9)17-15(20)13-8-12(13)10-3-5-11(16)6-4-10/h3-7,12-13H,8H2,1-2H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyCBPPQZUCXXMFMD-QWHCGFSZSA-N
MW334.22 g/mol
LogP3.23
Rot. Bonds3

About trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 94811638) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID94811638
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Nametrans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n(C)n1
InChIInChI=1S/C15H16BrN3O/c1-9-7-14(19(2)18-9)17-15(20)13-8-12(13)10-3-5-11(16)6-4-10/h3-7,12-13H,8H2,1-2H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyCBPPQZUCXXMFMD-QWHCGFSZSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94816452
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94812943
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
4-amino-N-(2,5-dimethylpyrazol-3-yl)oxolane-3-carboxamide
CID 66241190
cis-(1R,2S)-2-(4-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801668
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
CID 73098803
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517
trans-(1S,2S)-2-(4-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95595207

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 94811638) is trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n(C)n1.
What is the InChIKey of trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is CBPPQZUCXXMFMD-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9-7-14(19(2)18-9)17-15(20)13-8-12(13)10-3-5-11(16)6-4-10/h3-7,12-13H,8H2,1-2H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94811638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).