N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide

C12H15BrClN5O — CID 19458490

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C12H15BrClN5O/c1-17(8-11-10(13)6-15-18(11)2)12(20)3-4-19-7-9(14)5-16-19/h5-7H,3-4,8H2,1-2H3
InChIKeyNPAMQVFTJHVYMZ-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.08
Rot. Bonds5

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide (PubChem CID 19458490) has the molecular formula C12H15BrClN5O and a molecular weight of 360.64 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
PubChem CID19458490
Molecular FormulaC12H15BrClN5O
Molecular Weight360.64 g/mol
Exact Mass359.01
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C12H15BrClN5O/c1-17(8-11-10(13)6-15-18(11)2)12(20)3-4-19-7-9(14)5-16-19/h5-7H,3-4,8H2,1-2H3
InChIKeyNPAMQVFTJHVYMZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-bromo-1-methylpyrazol-5-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470787
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19458493
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1,3-trimethylpyrazole-4-carboxamide
CID 19477885
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,2,5-trimethylbenzamide
CID 19458548
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19460615
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19279042
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19458449
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide
CID 19458573
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(4-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19458444
3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
CID 118766185

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide (CID 19458490) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide is CN(Cc1c(Br)cnn1C)C(=O)CCn1cc(Cl)cn1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide?
The InChIKey is NPAMQVFTJHVYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN5O/c1-17(8-11-10(13)6-15-18(11)2)12(20)3-4-19-7-9(14)5-16-19/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide has a molecular weight of 360.64 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 19458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).