(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine

C15H20ClN3S — CID 106848481

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(SCC)cc1
InChIInChI=1S/C15H20ClN3S/c1-3-9-19-15(13(16)10-18-19)14(17)11-5-7-12(8-6-11)20-4-2/h5-8,10,14H,3-4,9,17H2,1-2H3
InChIKeyDVSRAOGXHJFTCC-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.11
Rot. Bonds6

About (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine (PubChem CID 106848481) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
PubChem CID106848481
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(SCC)cc1
InChIInChI=1S/C15H20ClN3S/c1-3-9-19-15(13(16)10-18-19)14(17)11-5-7-12(8-6-11)20-4-2/h5-8,10,14H,3-4,9,17H2,1-2H3
InChIKeyDVSRAOGXHJFTCC-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848796
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylsulfanylphenyl)methanol
CID 106848319
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849013
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849011
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine (CID 106848481) is (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine is CCCn1ncc(Cl)c1C(N)c1ccc(SCC)cc1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine?
The InChIKey is DVSRAOGXHJFTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-3-9-19-15(13(16)10-18-19)14(17)11-5-7-12(8-6-11)20-4-2/h5-8,10,14H,3-4,9,17H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine has a molecular weight of 309.87 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine is sourced from PubChem (CID 106848481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).