N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

C15H19N3S — CID 64627978

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1Sc1cnn(C)c1
InChIInChI=1S/C15H19N3S/c1-3-16-15-13-7-5-4-6-11(13)8-14(15)19-12-9-17-18(2)10-12/h4-7,9-10,14-16H,3,8H2,1-2H3
InChIKeyJLFJACILAZAZOP-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64627978) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64627978
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1Sc1cnn(C)c1
InChIInChI=1S/C15H19N3S/c1-3-16-15-13-7-5-4-6-11(13)8-14(15)19-12-9-17-18(2)10-12/h4-7,9-10,14-16H,3,8H2,1-2H3
InChIKeyJLFJACILAZAZOP-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64619862
N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64620538
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 64611334
6-(1-methylpyrazol-4-yl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64628164
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64626428
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628649
N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64723897
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927305
1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63206524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (CID 64627978) is N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1Sc1cnn(C)c1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JLFJACILAZAZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-16-15-13-7-5-4-6-11(13)8-14(15)19-12-9-17-18(2)10-12/h4-7,9-10,14-16H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64627978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).