4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine

C13H18N4S — CID 64784161

IUPAC4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESCCC(C)n1ccc(CSc2ccncc2N)n1
InChIInChI=1S/C13H18N4S/c1-3-10(2)17-7-5-11(16-17)9-18-13-4-6-15-8-12(13)14/h4-8,10H,3,9,14H2,1-2H3
InChIKeyHIGAYYZKSMLDNF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.12
Rot. Bonds5

About 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine

4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 64784161) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
PubChem CID64784161
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESCCC(C)n1ccc(CSc2ccncc2N)n1
InChIInChI=1S/C13H18N4S/c1-3-10(2)17-7-5-11(16-17)9-18-13-4-6-15-8-12(13)14/h4-8,10H,3,9,14H2,1-2H3
InChIKeyHIGAYYZKSMLDNF-UHFFFAOYSA-N
XLogP3.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64771834
3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678525
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 66142138
1-[3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]ethanamine
CID 64777752
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
1-[4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]-N-methylethanamine
CID 64777561
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
1-[4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]ethanone
CID 64776983
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
2-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 64777268

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine (CID 64784161) is 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine is CCC(C)n1ccc(CSc2ccncc2N)n1.
What is the InChIKey of 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is HIGAYYZKSMLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-10(2)17-7-5-11(16-17)9-18-13-4-6-15-8-12(13)14/h4-8,10H,3,9,14H2,1-2H3.
What are the key properties of 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine?
4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 64784161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).