N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine

C15H19Cl2N3 — CID 115807598

IUPACN-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H19Cl2N3/c1-3-7-20-10-11(9-19-20)15(18-4-2)13-8-12(16)5-6-14(13)17/h5-6,8-10,15,18H,3-4,7H2,1-2H3
InChIKeyHXMQTDUMQPLHFL-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.30
Rot. Bonds6

About N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115807598) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID115807598
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H19Cl2N3/c1-3-7-20-10-11(9-19-20)15(18-4-2)13-8-12(16)5-6-14(13)17/h5-6,8-10,15,18H,3-4,7H2,1-2H3
InChIKeyHXMQTDUMQPLHFL-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

(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
N-[(5-bromo-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 114894914
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041314
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine (CID 115807598) is N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1cc(C(NCC)c2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HXMQTDUMQPLHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-7-20-10-11(9-19-20)15(18-4-2)13-8-12(16)5-6-14(13)17/h5-6,8-10,15,18H,3-4,7H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine 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-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115807598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).