6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine

C14H18N4S — CID 64784546

IUPAC6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2ccn(C3CCCC3)n2)nc1
InChIInChI=1S/C14H18N4S/c15-11-5-6-14(16-9-11)19-10-12-7-8-18(17-12)13-3-1-2-4-13/h5-9,13H,1-4,10,15H2
InChIKeyMMJKBFUWDXIRRG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.27
Rot. Bonds4

About 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine

6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 64784546) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
PubChem CID64784546
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2ccn(C3CCCC3)n2)nc1
InChIInChI=1S/C14H18N4S/c15-11-5-6-14(16-9-11)19-10-12-7-8-18(17-12)13-3-1-2-4-13/h5-9,13H,1-4,10,15H2
InChIKeyMMJKBFUWDXIRRG-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]aniline
CID 79133685
2-chloro-4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]aniline
CID 79149861
4-chloro-2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]aniline
CID 79528565
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629971
2-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]-5-methylaniline
CID 64785127
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66217324
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66218804
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
CID 79682458
1-[4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]ethanone
CID 64776982

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine (CID 64784546) is 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine is Nc1ccc(SCc2ccn(C3CCCC3)n2)nc1.
What is the InChIKey of 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is MMJKBFUWDXIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c15-11-5-6-14(16-9-11)19-10-12-7-8-18(17-12)13-3-1-2-4-13/h5-9,13H,1-4,10,15H2.
What are the key properties of 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 64784546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).