2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine

C17H25N3S — CID 64626985

IUPAC2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)Sc1cnn(C)c1
InChIInChI=1S/C17H25N3S/c1-4-11-18-17(14-9-7-6-8-10-14)16(5-2)21-15-12-19-20(3)13-15/h6-10,12-13,16-18H,4-5,11H2,1-3H3
InChIKeyLNDKOAFXMWJQOY-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.03
Rot. Bonds8

About 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine

2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine (PubChem CID 64626985) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
PubChem CID64626985
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)Sc1cnn(C)c1
InChIInChI=1S/C17H25N3S/c1-4-11-18-17(14-9-7-6-8-10-14)16(5-2)21-15-12-19-20(3)13-15/h6-10,12-13,16-18H,4-5,11H2,1-3H3
InChIKeyLNDKOAFXMWJQOY-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-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

N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-amine
CID 64627603
1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
CID 64649430
2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107784222
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64819677
N-[1-(4-ethylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethyl]propan-1-amine
CID 64628363
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-one
CID 61385060
ethyl 2-[1-phenyl-1-(propylamino)butan-2-yl]sulfanylacetate
CID 64615868
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine (CID 64626985) is 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1)C(CC)Sc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
The InChIKey is LNDKOAFXMWJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-11-18-17(14-9-7-6-8-10-14)16(5-2)21-15-12-19-20(3)13-15/h6-10,12-13,16-18H,4-5,11H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 64626985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).