N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

C16H17N3S — CID 62346092

IUPACN-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCCc1ccc(CNc2cccc(-c3ccn[nH]3)c2)s1
InChIInChI=1S/C16H17N3S/c1-2-14-6-7-15(20-14)11-17-13-5-3-4-12(10-13)16-8-9-18-19-16/h3-10,17H,2,11H2,1H3,(H,18,19)
InChIKeyFJZMRUREOGRZCC-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.31
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 62346092) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID62346092
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCCc1ccc(CNc2cccc(-c3ccn[nH]3)c2)s1
InChIInChI=1S/C16H17N3S/c1-2-14-6-7-15(20-14)11-17-13-5-3-4-12(10-13)16-8-9-18-19-16/h3-10,17H,2,11H2,1H3,(H,18,19)
InChIKeyFJZMRUREOGRZCC-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43790937
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(2-bromophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745385
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530
N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 81313287
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62755251
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 62346092) is N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is CCc1ccc(CNc2cccc(-c3ccn[nH]3)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is FJZMRUREOGRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-14-6-7-15(20-14)11-17-13-5-3-4-12(10-13)16-8-9-18-19-16/h3-10,17H,2,11H2,1H3,(H,18,19).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 283.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 62346092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).