(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine

C13H15Cl2N3 — CID 115807774

IUPAC(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H15Cl2N3/c1-2-5-18-8-9(7-17-18)13(16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13H,2,5,16H2,1H3
InChIKeyJYBFLLNIYIITLT-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.65
Rot. Bonds4

About (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine

(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115807774) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
PubChem CID115807774
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H15Cl2N3/c1-2-5-18-8-9(7-17-18)13(16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13H,2,5,16H2,1H3
InChIKeyJYBFLLNIYIITLT-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572619
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine
CID 79780955
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine (CID 115807774) is (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)c2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is JYBFLLNIYIITLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-2-5-18-8-9(7-17-18)13(16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13H,2,5,16H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine?
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 284.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115807774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).