1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

C12H14Cl3N3S — CID 107969110

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H14Cl3N3S/c1-6(2)18-11(8(13)5-17-18)10(16-3)7-4-9(14)19-12(7)15/h4-6,10,16H,1-3H3
InChIKeyCHKTUQMKYSUQNB-UHFFFAOYSA-N
MW338.69 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 107969110) has the molecular formula C12H14Cl3N3S and a molecular weight of 338.69 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID107969110
Molecular FormulaC12H14Cl3N3S
Molecular Weight338.69 g/mol
Exact Mass337.00
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H14Cl3N3S/c1-6(2)18-11(8(13)5-17-18)10(16-3)7-4-9(14)19-12(7)15/h4-6,10,16H,1-3H3
InChIKeyCHKTUQMKYSUQNB-UHFFFAOYSA-N
XLogP4.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.69
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969315
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107969116
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970606
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041639
[(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970626
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105041760
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 114659101
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041705
1-(3-bromophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114647378
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969129
1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114651271

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 107969110) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNC(c1cc(Cl)sc1Cl)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is CHKTUQMKYSUQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N3S/c1-6(2)18-11(8(13)5-17-18)10(16-3)7-4-9(14)19-12(7)15/h4-6,10,16H,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 338.69 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107969110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).