N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine

C13H23N3S — CID 113334912

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccnn2CC)C1
InChIInChI=1S/C13H23N3S/c1-3-16-12(7-8-15-16)10-14-11-5-6-13(9-11)17-4-2/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyFUAVQEPYPAIETL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine (PubChem CID 113334912) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
PubChem CID113334912
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccnn2CC)C1
InChIInChI=1S/C13H23N3S/c1-3-16-12(7-8-15-16)10-14-11-5-6-13(9-11)17-4-2/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyFUAVQEPYPAIETL-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfanyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 103702404
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732676
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115762388
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine (CID 113334912) is N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine is CCSC1CCC(NCc2ccnn2CC)C1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The InChIKey is FUAVQEPYPAIETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-16-12(7-8-15-16)10-14-11-5-6-13(9-11)17-4-2/h7-8,11,13-14H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 113334912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).