3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine

C13H20N4S — CID 66029585

IUPAC3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1ccc(C)s1
InChIInChI=1S/C13H20N4S/c1-4-7-17-13(12(14)10(3)16-17)15-8-11-6-5-9(2)18-11/h5-6,15H,4,7-8,14H2,1-3H3
InChIKeyKGMBYSIFTDYVCM-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.17
Rot. Bonds5

About 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine

3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine (PubChem CID 66029585) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
PubChem CID66029585
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1ccc(C)s1
InChIInChI=1S/C13H20N4S/c1-4-7-17-13(12(14)10(3)16-17)15-8-11-6-5-9(2)18-11/h5-6,15H,4,7-8,14H2,1-3H3
InChIKeyKGMBYSIFTDYVCM-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 122165725
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CID 122165726
CID 122165726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine (CID 66029585) is 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCc1ccc(C)s1.
What is the InChIKey of 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The InChIKey is KGMBYSIFTDYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-7-17-13(12(14)10(3)16-17)15-8-11-6-5-9(2)18-11/h5-6,15H,4,7-8,14H2,1-3H3.
What are the key properties of 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).