1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine

C11H13Cl2N3S — CID 105040481

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCCn1ncc(Cl)c1C(NC)c1sccc1Cl
InChIInChI=1S/C11H13Cl2N3S/c1-3-16-10(8(13)6-15-16)9(14-2)11-7(12)4-5-17-11/h4-6,9,14H,3H2,1-2H3
InChIKeyATEWBJLNHLHWGG-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 105040481) has the molecular formula C11H13Cl2N3S and a molecular weight of 290.22 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID105040481
Molecular FormulaC11H13Cl2N3S
Molecular Weight290.22 g/mol
Exact Mass289.02
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCCn1ncc(Cl)c1C(NC)c1sccc1Cl
InChIInChI=1S/C11H13Cl2N3S/c1-3-16-10(8(13)6-15-16)9(14-2)11-7(12)4-5-17-11/h4-6,9,14H,3H2,1-2H3
InChIKeyATEWBJLNHLHWGG-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105039974
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649702
[(3-chlorothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339350
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105040827
1-(3-bromo-2-chlorophenyl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 105040798
1-(2-bromofuran-3-yl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 106858624
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105040778
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine (CID 105040481) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine is CCn1ncc(Cl)c1C(NC)c1sccc1Cl.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is ATEWBJLNHLHWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3S/c1-3-16-10(8(13)6-15-16)9(14-2)11-7(12)4-5-17-11/h4-6,9,14H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine has a molecular weight of 290.22 g/mol, XLogP of 3.58, 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-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105040481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).