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

C11H14ClN3S — CID 43543258

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C11H14ClN3S/c1-3-15-7-9(6-13-15)14-8(2)10-4-5-11(12)16-10/h4-8,14H,3H2,1-2H3
InChIKeyRWKADANRMCSEQL-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.79
Rot. Bonds4

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine (PubChem CID 43543258) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine
PubChem CID43543258
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C11H14ClN3S/c1-3-15-7-9(6-13-15)14-8(2)10-4-5-11(12)16-10/h4-8,14H,3H2,1-2H3
InChIKeyRWKADANRMCSEQL-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine (CID 43543258) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine is CCn1cc(NC(C)c2ccc(Cl)s2)cn1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine?
The InChIKey is RWKADANRMCSEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-3-15-7-9(6-13-15)14-8(2)10-4-5-11(12)16-10/h4-8,14H,3H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine has a molecular weight of 255.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).