2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide

C13H17BrClN5O — CID 19460696

IUPAC2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C13H17BrClN5O/c1-13(2,20-7-9(14)5-17-20)12(21)18(3)8-11-10(15)6-16-19(11)4/h5-7H,8H2,1-4H3
InChIKeyCIZWEFNTXBDOOU-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide

2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide (PubChem CID 19460696) has the molecular formula C13H17BrClN5O and a molecular weight of 374.67 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
PubChem CID19460696
Molecular FormulaC13H17BrClN5O
Molecular Weight374.67 g/mol
Exact Mass373.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C13H17BrClN5O/c1-13(2,20-7-9(14)5-17-20)12(21)18(3)8-11-10(15)6-16-19(11)4/h5-7H,8H2,1-4H3
InChIKeyCIZWEFNTXBDOOU-UHFFFAOYSA-N
XLogP2.43
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-(4-bromopyrazol-1-yl)-N,2-dimethylpropanamide
CID 19458573
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19456491
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
2-(4-chloropyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,2-dimethylpropanamide
CID 19454404
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
CID 19460697
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
CID 19478714
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
CID 19460508
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
CID 19458490
3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441160
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 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide (CID 19460696) is 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide is CN(Cc1c(Cl)cnn1C)C(=O)C(C)(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
The InChIKey is CIZWEFNTXBDOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN5O/c1-13(2,20-7-9(14)5-17-20)12(21)18(3)8-11-10(15)6-16-19(11)4/h5-7H,8H2,1-4H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide has a molecular weight of 374.67 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 19460696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).