N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C14H25N3S — CID 65140370

IUPACN-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)c1ccnn1C
InChIInChI=1S/C14H25N3S/c1-3-9-15-13(14-8-10-16-17(14)2)11-18-12-6-4-5-7-12/h8,10,12-13,15H,3-7,9,11H2,1-2H3
InChIKeyKZKRLVICYFBBEN-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.14
Rot. Bonds7

About N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 65140370) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID65140370
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)c1ccnn1C
InChIInChI=1S/C14H25N3S/c1-3-9-15-13(14-8-10-16-17(14)2)11-18-12-6-4-5-7-12/h8,10,12-13,15H,3-7,9,11H2,1-2H3
InChIKeyKZKRLVICYFBBEN-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
[2-cyclopentylsulfanyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105227405
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
[2-cyclohexylsulfanyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105227740
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
[2-cyclohexylsulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105227851
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 65140370) is N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(CSC1CCCC1)c1ccnn1C.
What is the InChIKey of N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is KZKRLVICYFBBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-9-15-13(14-8-10-16-17(14)2)11-18-12-6-4-5-7-12/h8,10,12-13,15H,3-7,9,11H2,1-2H3.
What are the key properties of N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65140370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).