N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine

C13H20N4S — CID 54579685

IUPACN,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
SMILESCc1[nH]ncc1CNCC(c1ccsc1)N(C)C
InChIInChI=1S/C13H20N4S/c1-10-12(7-15-16-10)6-14-8-13(17(2)3)11-4-5-18-9-11/h4-5,7,9,13-14H,6,8H2,1-3H3,(H,15,16)
InChIKeySIWMPLBYXZOFOF-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.17
Rot. Bonds6

About N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine

N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 54579685) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
PubChem CID54579685
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
SMILESCc1[nH]ncc1CNCC(c1ccsc1)N(C)C
InChIInChI=1S/C13H20N4S/c1-10-12(7-15-16-10)6-14-8-13(17(2)3)11-4-5-18-9-11/h4-5,7,9,13-14H,6,8H2,1-3H3,(H,15,16)
InChIKeySIWMPLBYXZOFOF-UHFFFAOYSA-N
XLogP2.17
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine (CID 54579685) is N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine is Cc1[nH]ncc1CNCC(c1ccsc1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is SIWMPLBYXZOFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10-12(7-15-16-10)6-14-8-13(17(2)3)11-4-5-18-9-11/h4-5,7,9,13-14H,6,8H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 54579685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).