N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline

C15H14ClN3S — CID 102976853

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
SMILESCC(Nc1ccccc1-n1cccn1)c1csc(Cl)c1
InChIInChI=1S/C15H14ClN3S/c1-11(12-9-15(16)20-10-12)18-13-5-2-3-6-14(13)19-8-4-7-17-19/h2-11,18H,1H3
InChIKeyMQERVWGTCLJMBZ-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.76
Rot. Bonds4

About N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline

N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline (PubChem CID 102976853) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
PubChem CID102976853
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
SMILESCC(Nc1ccccc1-n1cccn1)c1csc(Cl)c1
InChIInChI=1S/C15H14ClN3S/c1-11(12-9-15(16)20-10-12)18-13-5-2-3-6-14(13)19-8-4-7-17-19/h2-11,18H,1H3
InChIKeyMQERVWGTCLJMBZ-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline
CID 104652461
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
CID 114082695
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040820
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
CID 102976770
1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102976235
3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline
CID 60942438
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 64993427

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline (CID 102976853) is N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline is CC(Nc1ccccc1-n1cccn1)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline?
The InChIKey is MQERVWGTCLJMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-11(12-9-15(16)20-10-12)18-13-5-2-3-6-14(13)19-8-4-7-17-19/h2-11,18H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline?
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline has a molecular weight of 303.82 g/mol, XLogP of 4.76, 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-3-yl)ethyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 102976853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).