1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C16H18BrN3O — CID 31853188

IUPAC1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H18BrN3O/c1-19(10-12-9-18-20(2)11-12)15(21)16(6-7-16)13-4-3-5-14(17)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyCTNVSNRQQWKMEV-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 31853188) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID31853188
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H18BrN3O/c1-19(10-12-9-18-20(2)11-12)15(21)16(6-7-16)13-4-3-5-14(17)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyCTNVSNRQQWKMEV-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 55521841
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
1-(3-bromophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 55912571
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 31849870
1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
CID 87025793
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037048
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 31853188) is 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CTNVSNRQQWKMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-19(10-12-9-18-20(2)11-12)15(21)16(6-7-16)13-4-3-5-14(17)8-13/h3-5,8-9,11H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 31853188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).