1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine

C16H19N3S — CID 102804414

IUPAC1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NC(C)c1sc2ccccc2c1C
InChIInChI=1S/C16H19N3S/c1-10-13-7-5-6-8-15(13)20-16(10)12(3)17-14-9-19(4)18-11(14)2/h5-9,12,17H,1-4H3
InChIKeyRSMKLVIVKWBLON-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.42
Rot. Bonds3

About 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine

1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine (PubChem CID 102804414) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine
PubChem CID102804414
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NC(C)c1sc2ccccc2c1C
InChIInChI=1S/C16H19N3S/c1-10-13-7-5-6-8-15(13)20-16(10)12(3)17-14-9-19(4)18-11(14)2/h5-9,12,17H,1-4H3
InChIKeyRSMKLVIVKWBLON-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43755746
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
2-chloro-5-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 107630952
4-chloro-2-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43766577
4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]phenol
CID 43790401
5-bromo-2-chloro-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 63477562
1-(3-methyl-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004429
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43764320
1-(3-methyl-1-benzothiophen-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332721
3-bromo-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43762871

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine (CID 102804414) is 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine is Cc1nn(C)cc1NC(C)c1sc2ccccc2c1C.
What is the InChIKey of 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine?
The InChIKey is RSMKLVIVKWBLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10-13-7-5-6-8-15(13)20-16(10)12(3)17-14-9-19(4)18-11(14)2/h5-9,12,17H,1-4H3.
What are the key properties of 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine?
1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine has a molecular weight of 285.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 102804414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).