N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

C15H24ClN5 — CID 46993229

IUPACN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1nn(C)c(Cl)c1CN(CC)Cc1cnn(CC)c1
InChIInChI=1S/C15H24ClN5/c1-5-14-13(15(16)19(4)18-14)11-20(6-2)9-12-8-17-21(7-3)10-12/h8,10H,5-7,9,11H2,1-4H3
InChIKeyQDVIRNFDMPADBC-UHFFFAOYSA-N
MW309.85 g/mol
LogP2.87
Rot. Bonds7

About N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46993229) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID46993229
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1nn(C)c(Cl)c1CN(CC)Cc1cnn(CC)c1
InChIInChI=1S/C15H24ClN5/c1-5-14-13(15(16)19(4)18-14)11-20(6-2)9-12-8-17-21(7-3)10-12/h8,10H,5-7,9,11H2,1-4H3
InChIKeyQDVIRNFDMPADBC-UHFFFAOYSA-N
XLogP2.87
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 50960275
1,4-diethylpyrazole;ethane
CID 143641951
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862
7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 131949565
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
CID 46989853
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134710337
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 46993229) is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is CCc1nn(C)c(Cl)c1CN(CC)Cc1cnn(CC)c1.
What is the InChIKey of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is QDVIRNFDMPADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-5-14-13(15(16)19(4)18-14)11-20(6-2)9-12-8-17-21(7-3)10-12/h8,10H,5-7,9,11H2,1-4H3.
What are the key properties of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 309.85 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46993229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).