N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline

C15H14ClN3S — CID 43733318

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2ccn[nH]2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3S/c1-10(14-6-7-15(16)20-14)18-12-4-2-11(3-5-12)13-8-9-17-19-13/h2-10,18H,1H3,(H,17,19)
InChIKeyJKPGZGHQLDEMMY-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.96
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline (PubChem CID 43733318) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
PubChem CID43733318
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2ccn[nH]2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3S/c1-10(14-6-7-15(16)20-14)18-12-4-2-11(3-5-12)13-8-9-17-19-13/h2-10,18H,1H3,(H,17,19)
InChIKeyJKPGZGHQLDEMMY-UHFFFAOYSA-N
XLogP4.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 43743466
4-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 54954931
N-[1-(4-iodophenyl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788690
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704811
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788715
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
5-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 61472536
N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60931642

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline (CID 43733318) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline is CC(Nc1ccc(-c2ccn[nH]2)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is JKPGZGHQLDEMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10(14-6-7-15(16)20-14)18-12-4-2-11(3-5-12)13-8-9-17-19-13/h2-10,18H,1H3,(H,17,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline has a molecular weight of 303.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43733318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).