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

C14H13N3S — CID 91542572

IUPACN-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
SMILESc1cc(CNc2cn[nH]c2)cc(-c2cccs2)c1
InChIInChI=1S/C14H13N3S/c1-3-11(8-15-13-9-16-17-10-13)7-12(4-1)14-5-2-6-18-14/h1-7,9-10,15H,8H2,(H,16,17)
InChIKeyWXGHYKTYUKIUSP-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.75
Rot. Bonds4

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

N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine (PubChem CID 91542572) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
PubChem CID91542572
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
SMILESc1cc(CNc2cn[nH]c2)cc(-c2cccs2)c1
InChIInChI=1S/C14H13N3S/c1-3-11(8-15-13-9-16-17-10-13)7-12(4-1)14-5-2-6-18-14/h1-7,9-10,15H,8H2,(H,16,17)
InChIKeyWXGHYKTYUKIUSP-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine (CID 91542572) is N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine is c1cc(CNc2cn[nH]c2)cc(-c2cccs2)c1.
What is the InChIKey of N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
The InChIKey is WXGHYKTYUKIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-3-11(8-15-13-9-16-17-10-13)7-12(4-1)14-5-2-6-18-14/h1-7,9-10,15H,8H2,(H,16,17).
What are the key properties of N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine?
N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 91542572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).