N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine

C10H12ClN3S — CID 43543352

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(Cl)s2)cn1
InChIInChI=1S/C10H12ClN3S/c1-2-14-7-8(5-13-14)12-6-9-3-4-10(11)15-9/h3-5,7,12H,2,6H2,1H3
InChIKeyIEXZNUDKZYLQBJ-UHFFFAOYSA-N
MW241.75 g/mol
LogP3.23
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine (PubChem CID 43543352) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
PubChem CID43543352
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(Cl)s2)cn1
InChIInChI=1S/C10H12ClN3S/c1-2-14-7-8(5-13-14)12-6-9-3-4-10(11)15-9/h3-5,7,12H,2,6H2,1H3
InChIKeyIEXZNUDKZYLQBJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435004
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45831713
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45831812
5-chloro-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887138
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084476
2-[4-[1-(5-Chlorothiophen-2-yl)ethylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53503545
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376897
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 84588327
n-((3-Methylthiophen-2-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 53533966
3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 72140729
5-chloro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60324105

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine (CID 43543352) is N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine is CCn1cc(NCc2ccc(Cl)s2)cn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
The InChIKey is IEXZNUDKZYLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-2-14-7-8(5-13-14)12-6-9-3-4-10(11)15-9/h3-5,7,12H,2,6H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine has a molecular weight of 241.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).