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

C14H19BrClN5O — CID 19333233

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCn1cc(Br)c(CNC(=O)CCn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C14H19BrClN5O/c1-4-20-8-11(15)12(19-20)7-17-13(22)5-6-21-10(3)14(16)9(2)18-21/h8H,4-7H2,1-3H3,(H,17,22)
InChIKeyXNIRWXQRNZNFIA-UHFFFAOYSA-N
MW388.70 g/mol
LogP2.84
Rot. Bonds6

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

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19333233) has the molecular formula C14H19BrClN5O and a molecular weight of 388.70 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19333233
Molecular FormulaC14H19BrClN5O
Molecular Weight388.70 g/mol
Exact Mass387.05
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCn1cc(Br)c(CNC(=O)CCn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C14H19BrClN5O/c1-4-20-8-11(15)12(19-20)7-17-13(22)5-6-21-10(3)14(16)9(2)18-21/h8H,4-7H2,1-3H3,(H,17,22)
InChIKeyXNIRWXQRNZNFIA-UHFFFAOYSA-N
XLogP2.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]propanamide
CID 19331361
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296799
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19333314
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19584398
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19543724
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 19540196
methyl 2-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]acetate
CID 19543793
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19621093
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19333218
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]benzamide
CID 19332955
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19550194
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19543902

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (CID 19333233) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is CCn1cc(Br)c(CNC(=O)CCn2nc(C)c(Cl)c2C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is XNIRWXQRNZNFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN5O/c1-4-20-8-11(15)12(19-20)7-17-13(22)5-6-21-10(3)14(16)9(2)18-21/h8H,4-7H2,1-3H3,(H,17,22).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 388.70 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19333233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).