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

C10H11Cl2N3S — CID 105040808

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1sccc1Cl
InChIInChI=1S/C10H11Cl2N3S/c1-2-15-9(7(12)5-14-15)8(13)10-6(11)3-4-16-10/h3-5,8H,2,13H2,1H3
InChIKeyHICCOIDGZSSUDJ-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.32
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine (PubChem CID 105040808) has the molecular formula C10H11Cl2N3S and a molecular weight of 276.19 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
PubChem CID105040808
Molecular FormulaC10H11Cl2N3S
Molecular Weight276.19 g/mol
Exact Mass275.01
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1sccc1Cl
InChIInChI=1S/C10H11Cl2N3S/c1-2-15-9(7(12)5-14-15)8(13)10-6(11)3-4-16-10/h3-5,8H,2,13H2,1H3
InChIKeyHICCOIDGZSSUDJ-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105040481
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105183156
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105039974
[(3-chlorothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339350
(4-chloro-1-ethylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105183129
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696
(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
CID 114651502

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine (CID 105040808) is (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine is CCn1ncc(Cl)c1C(N)c1sccc1Cl.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
The InChIKey is HICCOIDGZSSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3S/c1-2-15-9(7(12)5-14-15)8(13)10-6(11)3-4-16-10/h3-5,8H,2,13H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine has a molecular weight of 276.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 105040808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).