1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine

C13H18FN3S — CID 122165836

IUPAC1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
SMILESCCCn1nc(C)cc1CNCc1ccc(F)s1
InChIInChI=1S/C13H18FN3S/c1-3-6-17-11(7-10(2)16-17)8-15-9-12-4-5-13(14)18-12/h4-5,7,15H,3,6,8-9H2,1-2H3
InChIKeyITBCKRWNUADYLS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.09
Rot. Bonds6

About 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine

1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine (PubChem CID 122165836) has the molecular formula C13H18FN3S and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
PubChem CID122165836
Molecular FormulaC13H18FN3S
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC Name1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
SMILESCCCn1nc(C)cc1CNCc1ccc(F)s1
InChIInChI=1S/C13H18FN3S/c1-3-6-17-11(7-10(2)16-17)8-15-9-12-4-5-13(14)18-12/h4-5,7,15H,3,6,8-9H2,1-2H3
InChIKeyITBCKRWNUADYLS-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine (CID 122165836) is 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine is CCCn1nc(C)cc1CNCc1ccc(F)s1.
What is the InChIKey of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
The InChIKey is ITBCKRWNUADYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3S/c1-3-6-17-11(7-10(2)16-17)8-15-9-12-4-5-13(14)18-12/h4-5,7,15H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 122165836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).