N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine

C11H19N3S — CID 64723897

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2cnn(C)c2)C1
InChIInChI=1S/C11H19N3S/c1-3-12-9-4-5-10(6-9)15-11-7-13-14(2)8-11/h7-10,12H,3-6H2,1-2H3
InChIKeySQOGFLWSMFNEAS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine

N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine (PubChem CID 64723897) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
PubChem CID64723897
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2cnn(C)c2)C1
InChIInChI=1S/C11H19N3S/c1-3-12-9-4-5-10(6-9)15-11-7-13-14(2)8-11/h7-10,12H,3-6H2,1-2H3
InChIKeySQOGFLWSMFNEAS-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
CID 64723484
N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
CID 64722463
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801
1-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79634039
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64627978
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64715489
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
CID 106928073
4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64722473
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
CID 114664100
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine (CID 64723897) is N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine is CCNC1CCC(Sc2cnn(C)c2)C1.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
The InChIKey is SQOGFLWSMFNEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-12-9-4-5-10(6-9)15-11-7-13-14(2)8-11/h7-10,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64723897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).