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

C8H7ClFN3S — CID 163917051

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine
SMILESFc1cn[nH]c1NCc1ccc(Cl)s1
InChIInChI=1S/C8H7ClFN3S/c9-7-2-1-5(14-7)3-11-8-6(10)4-12-13-8/h1-2,4H,3H2,(H2,11,12,13)
InChIKeyQXEFVNSNLVGUAL-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.88
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine (PubChem CID 163917051) has the molecular formula C8H7ClFN3S and a molecular weight of 231.68 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine
PubChem CID163917051
Molecular FormulaC8H7ClFN3S
Molecular Weight231.68 g/mol
Exact Mass231.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine
SMILESFc1cn[nH]c1NCc1ccc(Cl)s1
InChIInChI=1S/C8H7ClFN3S/c9-7-2-1-5(14-7)3-11-8-6(10)4-12-13-8/h1-2,4H,3H2,(H2,11,12,13)
InChIKeyQXEFVNSNLVGUAL-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.88
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-1H-pyrazol-5-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine (CID 163917051) is N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine is Fc1cn[nH]c1NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine?
The InChIKey is QXEFVNSNLVGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3S/c9-7-2-1-5(14-7)3-11-8-6(10)4-12-13-8/h1-2,4H,3H2,(H2,11,12,13).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine?
N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1H-pyrazol-5-amine has a molecular weight of 231.68 g/mol, XLogP of 2.88, 3 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-1H-pyrazol-5-amine is sourced from PubChem (CID 163917051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).