N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

C12H16FN3S — CID 122165807

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCCn1cc(CNCc2ccc(F)s2)c(C)n1
InChIInChI=1S/C12H16FN3S/c1-3-16-8-10(9(2)15-16)6-14-7-11-4-5-12(13)17-11/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyNAYPBIURROPIBS-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.70
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (PubChem CID 122165807) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
PubChem CID122165807
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCCn1cc(CNCc2ccc(F)s2)c(C)n1
InChIInChI=1S/C12H16FN3S/c1-3-16-8-10(9(2)15-16)6-14-7-11-4-5-12(13)17-11/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyNAYPBIURROPIBS-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11026923, Example 65
CID 155773326
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435419
1-benzyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45881588
1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-(3-methylthiophen-2-YL)azepane
CID 46366472
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methyl-2-thienyl)azepane
CID 46366473
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
1-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124368
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 84588265
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 84588327
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 134793265
1-Heptyl-4-phenyl-3-thiophen-2-ylpyrazole
CID 177651617

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (CID 122165807) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is CCn1cc(CNCc2ccc(F)s2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The InChIKey is NAYPBIURROPIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-3-16-8-10(9(2)15-16)6-14-7-11-4-5-12(13)17-11/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is sourced from PubChem (CID 122165807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).