N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C13H25N3S — CID 105154886

IUPACN-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCSC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3S/c1-5-14-12(7-9-17-4)10-13-6-8-16(15-13)11(2)3/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyLCQJJSQQQCJPHZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.74
Rot. Bonds8

About N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 105154886) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID105154886
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCSC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3S/c1-5-14-12(7-9-17-4)10-13-6-8-16(15-13)11(2)3/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyLCQJJSQQQCJPHZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 79953927
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105154970
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
CID 104989660
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
N-ethyl-4-methylsulfanyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105160437
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
CID 64771213
N,3-dimethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 114221982

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 105154886) is N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CCNC(CCSC)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is LCQJJSQQQCJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-14-12(7-9-17-4)10-13-6-8-16(15-13)11(2)3/h6,8,11-12,14H,5,7,9-10H2,1-4H3.
What are the key properties of N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105154886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).