N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine

C14H24N5PS — CID 2328293

IUPACN-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine
SMILESCc1nn(C)c(C)c1P(=S)(c1c(C)nn(C)c1C)N(C)C
InChIInChI=1S/C14H24N5PS/c1-9-13(11(3)18(7)15-9)20(21,17(5)6)14-10(2)16-19(8)12(14)4/h1-8H3
InChIKeyWTIQUMUMMUSAGQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.29
Rot. Bonds3

About N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine

N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine (PubChem CID 2328293) has the molecular formula C14H24N5PS and a molecular weight of 325.42 g/mol. Its IUPAC name is N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine.

Molecular Properties

Compound NameN-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine
PubChem CID2328293
Molecular FormulaC14H24N5PS
Molecular Weight325.42 g/mol
Exact Mass325.15
IUPAC NameN-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine
SMILESCc1nn(C)c(C)c1P(=S)(c1c(C)nn(C)c1C)N(C)C
InChIInChI=1S/C14H24N5PS/c1-9-13(11(3)18(7)15-9)20(21,17(5)6)14-10(2)16-19(8)12(14)4/h1-8H3
InChIKeyWTIQUMUMMUSAGQ-UHFFFAOYSA-N
XLogP1.29
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Bis(1,3,5-trimethylpyrazol-4-yl)diazene
CID 2805548
N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine
CID 2328305
3,3'-(4,4'-selenobis(3,5-dimethyl-1H-pyrazole-4,1-diyl))dipropanenitrile
CID 3722663
1,3-Bis(3,5-dimethyl-1-pyrazolyl)propane
CID 14872699
1,4-Bis(3,5-dimethylpyrazol-1-yl)butane
CID 14872700
1,6-Bis(4-iodo-3,5-dimethylpyrazol-1-yl)hexane
CID 129876464
1,4-Bis(4-iodo-3,5-dimethylpyrazol-1-yl)butane
CID 129876573
1,5-Bis(4-iodo-3,5-dimethylpyrazol-1-yl)pentane
CID 129876616
2,3,5-Trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium
CID 67973085
1-[(3,5-Dimethylpyrazol-1-yl)methylsulfanylmethyl]-3,5-dimethylpyrazole
CID 68089411
(1,3,5-Trimethylpyrazol-4-yl)phosphane
CID 143551216
Methyl-(1,3,5-trimethylpyrazol-4-yl)phosphane
CID 143699717

Frequently Asked Questions

What is the IUPAC name of N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine?
The IUPAC name of N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine (CID 2328293) is N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine.
What is the SMILES notation for N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine?
The canonical SMILES for N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine is Cc1nn(C)c(C)c1P(=S)(c1c(C)nn(C)c1C)N(C)C.
What is the InChIKey of N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine?
The InChIKey is WTIQUMUMMUSAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N5PS/c1-9-13(11(3)18(7)15-9)20(21,17(5)6)14-10(2)16-19(8)12(14)4/h1-8H3.
What are the key properties of N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine?
N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine has a molecular weight of 325.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl-N-methylmethanamine is sourced from PubChem (CID 2328293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).