N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C16H31N3S — CID 65135128

IUPACN-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(CSCC(C)C)NC)n1
InChIInChI=1S/C16H31N3S/c1-6-16(7-2)19-9-8-14(18-19)10-15(17-5)12-20-11-13(3)4/h8-9,13,15-17H,6-7,10-12H2,1-5H3
InChIKeyANQXPGNZJBOXMG-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.76
Rot. Bonds10

About N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 65135128) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID65135128
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(CSCC(C)C)NC)n1
InChIInChI=1S/C16H31N3S/c1-6-16(7-2)19-9-8-14(18-19)10-15(17-5)12-20-11-13(3)4/h8-9,13,15-17H,6-7,10-12H2,1-5H3
InChIKeyANQXPGNZJBOXMG-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105226952
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191
1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65139202
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
N,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 65135128) is N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(CSCC(C)C)NC)n1.
What is the InChIKey of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is ANQXPGNZJBOXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-6-16(7-2)19-9-8-14(18-19)10-15(17-5)12-20-11-13(3)4/h8-9,13,15-17H,6-7,10-12H2,1-5H3.
What are the key properties of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 297.51 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 65135128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).