N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline

C16H17N3S — CID 63991077

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccsc1C(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H17N3S/c1-11-7-9-20-16(11)12(2)18-14-5-3-4-13(10-14)15-6-8-17-19-15/h3-10,12,18H,1-2H3,(H,17,19)
InChIKeyOFKALWJKAJMHQE-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.62
Rot. Bonds4

About N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline

N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 63991077) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID63991077
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccsc1C(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H17N3S/c1-11-7-9-20-16(11)12(2)18-14-5-3-4-13(10-14)15-6-8-17-19-15/h3-10,12,18H,1-2H3,(H,17,19)
InChIKeyOFKALWJKAJMHQE-UHFFFAOYSA-N
XLogP4.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745436
5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole
CID 29085232
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline (CID 63991077) is N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline is Cc1ccsc1C(C)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is OFKALWJKAJMHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-7-9-20-16(11)12(2)18-14-5-3-4-13(10-14)15-6-8-17-19-15/h3-10,12,18H,1-2H3,(H,17,19).
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 283.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 63991077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).