N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine

C10H13N3S — CID 82237954

IUPACN-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
SMILESCNC(c1cn[nH]c1)c1sccc1C
InChIInChI=1S/C10H13N3S/c1-7-3-4-14-10(7)9(11-2)8-5-12-13-6-8/h3-6,9,11H,1-2H3,(H,12,13)
InChIKeyIHZWZQQYHXEQCR-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.09
Rot. Bonds3

About N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine

N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 82237954) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
PubChem CID82237954
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
SMILESCNC(c1cn[nH]c1)c1sccc1C
InChIInChI=1S/C10H13N3S/c1-7-3-4-14-10(7)9(11-2)8-5-12-13-6-8/h3-6,9,11H,1-2H3,(H,12,13)
InChIKeyIHZWZQQYHXEQCR-UHFFFAOYSA-N
XLogP2.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine (CID 82237954) is N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine is CNC(c1cn[nH]c1)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is IHZWZQQYHXEQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-3-4-14-10(7)9(11-2)8-5-12-13-6-8/h3-6,9,11H,1-2H3,(H,12,13).
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine?
N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 207.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82237954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).