N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine

C14H11ClFN3S — CID 90434433

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine
SMILESFc1c(NCc2ccc(Cl)s2)n[nH]c1-c1ccccc1
InChIInChI=1S/C14H11ClFN3S/c15-11-7-6-10(20-11)8-17-14-12(16)13(18-19-14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,18,19)
InChIKeyGAZYFLSTJHYIAG-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.54
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine

N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine (PubChem CID 90434433) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine
PubChem CID90434433
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine
SMILESFc1c(NCc2ccc(Cl)s2)n[nH]c1-c1ccccc1
InChIInChI=1S/C14H11ClFN3S/c15-11-7-6-10(20-11)8-17-14-12(16)13(18-19-14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,18,19)
InChIKeyGAZYFLSTJHYIAG-UHFFFAOYSA-N
XLogP4.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine (CID 90434433) is N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine is Fc1c(NCc2ccc(Cl)s2)n[nH]c1-c1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine?
The InChIKey is GAZYFLSTJHYIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c15-11-7-6-10(20-11)8-17-14-12(16)13(18-19-14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,18,19).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine?
N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine has a molecular weight of 307.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 90434433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).