2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine

C14H22N4S — CID 43233188

IUPAC2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C14H22N4S/c1-14(2,18(3)4)10-15-8-11-9-16-17-13(11)12-6-5-7-19-12/h5-7,9,15H,8,10H2,1-4H3,(H,16,17)
InChIKeyFFROTJKQMYGPTQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.57
Rot. Bonds6

About 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 43233188) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine
PubChem CID43233188
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C14H22N4S/c1-14(2,18(3)4)10-15-8-11-9-16-17-13(11)12-6-5-7-19-12/h5-7,9,15H,8,10H2,1-4H3,(H,16,17)
InChIKeyFFROTJKQMYGPTQ-UHFFFAOYSA-N
XLogP2.57
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine (CID 43233188) is 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine is CN(C)C(C)(C)CNCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is FFROTJKQMYGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-14(2,18(3)4)10-15-8-11-9-16-17-13(11)12-6-5-7-19-12/h5-7,9,15H,8,10H2,1-4H3,(H,16,17).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 278.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 43233188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).