2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide

C14H19BrClN5O — CID 19460697

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
SMILESCc1nn(C(C)C(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1Br
InChIInChI=1S/C14H19BrClN5O/c1-8-13(15)9(2)21(18-8)10(3)14(22)19(4)7-12-11(16)6-17-20(12)5/h6,10H,7H2,1-5H3
InChIKeyLKRGNCIXMSCNEJ-UHFFFAOYSA-N
MW388.70 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide (PubChem CID 19460697) has the molecular formula C14H19BrClN5O and a molecular weight of 388.70 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
PubChem CID19460697
Molecular FormulaC14H19BrClN5O
Molecular Weight388.70 g/mol
Exact Mass387.05
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
SMILESCc1nn(C(C)C(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1Br
InChIInChI=1S/C14H19BrClN5O/c1-8-13(15)9(2)21(18-8)10(3)14(22)19(4)7-12-11(16)6-17-20(12)5/h6,10H,7H2,1-5H3
InChIKeyLKRGNCIXMSCNEJ-UHFFFAOYSA-N
XLogP2.87
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536059
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460700
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 51390078
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19536054
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322853
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460696
(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 7017609
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 17024617
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide (CID 19460697) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide is Cc1nn(C(C)C(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide?
The InChIKey is LKRGNCIXMSCNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN5O/c1-8-13(15)9(2)21(18-8)10(3)14(22)19(4)7-12-11(16)6-17-20(12)5/h6,10H,7H2,1-5H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide has a molecular weight of 388.70 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 19460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).