1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C13H18FN3S — CID 122165822

IUPAC1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccc(F)s2)cnn1C(C)C
InChIInChI=1S/C13H18FN3S/c1-9(2)17-10(3)11(7-16-17)6-15-8-12-4-5-13(14)18-12/h4-5,7,9,15H,6,8H2,1-3H3
InChIKeyAGOGTWCLGLVEHW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.26
Rot. Bonds5

About 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 122165822) 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-1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID122165822
Molecular FormulaC13H18FN3S
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC Name1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccc(F)s2)cnn1C(C)C
InChIInChI=1S/C13H18FN3S/c1-9(2)17-10(3)11(7-16-17)6-15-8-12-4-5-13(14)18-12/h4-5,7,9,15H,6,8H2,1-3H3
InChIKeyAGOGTWCLGLVEHW-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.26
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-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 122165822) is 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2ccc(F)s2)cnn1C(C)C.
What is the InChIKey of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is AGOGTWCLGLVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3S/c1-9(2)17-10(3)11(7-16-17)6-15-8-12-4-5-13(14)18-12/h4-5,7,9,15H,6,8H2,1-3H3.
What are the key properties of 1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(5-fluorothiophen-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.26, 5 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-1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 122165822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).