1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine

C11H15N3S — CID 66097001

IUPAC1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cnn(C)c2C)cs1
InChIInChI=1S/C11H15N3S/c1-8-11(6-13-14(8)3)9-4-10(5-12-2)15-7-9/h4,6-7,12H,5H2,1-3H3
InChIKeyCHKGSYOBCKUPFX-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.18
Rot. Bonds3

About 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine

1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 66097001) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine
PubChem CID66097001
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cnn(C)c2C)cs1
InChIInChI=1S/C11H15N3S/c1-8-11(6-13-14(8)3)9-4-10(5-12-2)15-7-9/h4,6-7,12H,5H2,1-3H3
InChIKeyCHKGSYOBCKUPFX-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine (CID 66097001) is 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2cnn(C)c2C)cs1.
What is the InChIKey of 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is CHKGSYOBCKUPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-11(6-13-14(8)3)9-4-10(5-12-2)15-7-9/h4,6-7,12H,5H2,1-3H3.
What are the key properties of 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine?
1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 66097001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).