N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine

C15H19Cl2N3 — CID 115857934

IUPACN-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cccc1Cl)c1ccnn1CC
InChIInChI=1S/C15H19Cl2N3/c1-3-9-18-15(13-8-10-19-20(13)4-2)14-11(16)6-5-7-12(14)17/h5-8,10,15,18H,3-4,9H2,1-2H3
InChIKeyIYMFQPRXYMXBPW-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.30
Rot. Bonds6

About N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine

N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 115857934) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID115857934
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cccc1Cl)c1ccnn1CC
InChIInChI=1S/C15H19Cl2N3/c1-3-9-18-15(13-8-10-19-20(13)4-2)14-11(16)6-5-7-12(14)17/h5-8,10,15,18H,3-4,9H2,1-2H3
InChIKeyIYMFQPRXYMXBPW-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307110
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine (CID 115857934) is N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1c(Cl)cccc1Cl)c1ccnn1CC.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is IYMFQPRXYMXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-9-18-15(13-8-10-19-20(13)4-2)14-11(16)6-5-7-12(14)17/h5-8,10,15,18H,3-4,9H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine?
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115857934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).