N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide

C14H19BrClN5O — CID 19458493

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
SMILESCc1nn(CCC(=O)N(C)Cc2c(Br)cnn2C)c(C)c1Cl
InChIInChI=1S/C14H19BrClN5O/c1-9-14(16)10(2)21(18-9)6-5-13(22)19(3)8-12-11(15)7-17-20(12)4/h7H,5-6,8H2,1-4H3
InChIKeyCGTFLYDJZMNVNE-UHFFFAOYSA-N
MW388.70 g/mol
LogP2.70
Rot. Bonds5

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide (PubChem CID 19458493) has the molecular formula C14H19BrClN5O and a molecular weight of 388.70 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
PubChem CID19458493
Molecular FormulaC14H19BrClN5O
Molecular Weight388.70 g/mol
Exact Mass387.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
SMILESCc1nn(CCC(=O)N(C)Cc2c(Br)cnn2C)c(C)c1Cl
InChIInChI=1S/C14H19BrClN5O/c1-9-14(16)10(2)21(18-9)6-5-13(22)19(3)8-12-11(15)7-17-20(12)4/h7H,5-6,8H2,1-4H3
InChIKeyCGTFLYDJZMNVNE-UHFFFAOYSA-N
XLogP2.70
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
CID 19458490
1-[3-[(4-bromo-1-methylpyrazol-5-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470787
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460700
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 55038458
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1,3-trimethylpyrazole-4-carboxamide
CID 19477885
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19460602
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-methylacetamide
CID 19503956
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-methylacetamide
CID 19497472
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide (CID 19458493) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide is Cc1nn(CCC(=O)N(C)Cc2c(Br)cnn2C)c(C)c1Cl.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
The InChIKey is CGTFLYDJZMNVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN5O/c1-9-14(16)10(2)21(18-9)6-5-13(22)19(3)8-12-11(15)7-17-20(12)4/h7H,5-6,8H2,1-4H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide has a molecular weight of 388.70 g/mol, XLogP of 2.70, 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-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 19458493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).