N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine

C15H29N3S — CID 65132582

IUPACN-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1cnn(CCC)c1
InChIInChI=1S/C15H29N3S/c1-6-8-16-14(12-19-15(3,4)5)13-10-17-18(11-13)9-7-2/h10-11,14,16H,6-9,12H2,1-5H3
InChIKeyFIFSHEIJTRTBGV-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.87
Rot. Bonds8

About N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 65132582) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID65132582
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1cnn(CCC)c1
InChIInChI=1S/C15H29N3S/c1-6-8-16-14(12-19-15(3,4)5)13-10-17-18(11-13)9-7-2/h10-11,14,16H,6-9,12H2,1-5H3
InChIKeyFIFSHEIJTRTBGV-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 65132971
N-[2-tert-butylsulfanyl-1-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 65132746
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine (CID 65132582) is N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(CSC(C)(C)C)c1cnn(CCC)c1.
What is the InChIKey of N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is FIFSHEIJTRTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-8-16-14(12-19-15(3,4)5)13-10-17-18(11-13)9-7-2/h10-11,14,16H,6-9,12H2,1-5H3.
What are the key properties of N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65132582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).