N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine

C13H13N3S2 — CID 43776937

IUPACN-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
SMILESc1csc(CC(Nc2cn[nH]c2)c2cccs2)c1
InChIInChI=1S/C13H13N3S2/c1-3-11(17-5-1)7-12(13-4-2-6-18-13)16-10-8-14-15-9-10/h1-6,8-9,12,16H,7H2,(H,14,15)
InChIKeyYSZVUAMFOOPLTP-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.93
Rot. Bonds5

About N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine

N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine (PubChem CID 43776937) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
PubChem CID43776937
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
SMILESc1csc(CC(Nc2cn[nH]c2)c2cccs2)c1
InChIInChI=1S/C13H13N3S2/c1-3-11(17-5-1)7-12(13-4-2-6-18-13)16-10-8-14-15-9-10/h1-6,8-9,12,16H,7H2,(H,14,15)
InChIKeyYSZVUAMFOOPLTP-UHFFFAOYSA-N
XLogP3.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648576
2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 43782525
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
CID 115724259
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine (CID 43776937) is N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine is c1csc(CC(Nc2cn[nH]c2)c2cccs2)c1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine?
The InChIKey is YSZVUAMFOOPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-3-11(17-5-1)7-12(13-4-2-6-18-13)16-10-8-14-15-9-10/h1-6,8-9,12,16H,7H2,(H,14,15).
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine?
N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43776937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).