N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine

C14H12FN3S — CID 61102848

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
SMILESFc1ccc(CNc2cn[nH]c2)cc1-c1cccs1
InChIInChI=1S/C14H12FN3S/c15-13-4-3-10(7-16-11-8-17-18-9-11)6-12(13)14-2-1-5-19-14/h1-6,8-9,16H,7H2,(H,17,18)
InChIKeyMGGDRNIIOAPLPI-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.89
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine (PubChem CID 61102848) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
PubChem CID61102848
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
SMILESFc1ccc(CNc2cn[nH]c2)cc1-c1cccs1
InChIInChI=1S/C14H12FN3S/c15-13-4-3-10(7-16-11-8-17-18-9-11)6-12(13)14-2-1-5-19-14/h1-6,8-9,16H,7H2,(H,17,18)
InChIKeyMGGDRNIIOAPLPI-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine (CID 61102848) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine is Fc1ccc(CNc2cn[nH]c2)cc1-c1cccs1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
The InChIKey is MGGDRNIIOAPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-13-4-3-10(7-16-11-8-17-18-9-11)6-12(13)14-2-1-5-19-14/h1-6,8-9,16H,7H2,(H,17,18).
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 61102848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).