5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine

C14H11F2N3OS — CID 62501030

IUPAC5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(OC(F)F)cc2)c1-c1cccs1
InChIInChI=1S/C14H11F2N3OS/c15-14(16)20-9-5-3-8(4-6-9)12-11(13(17)19-18-12)10-2-1-7-21-10/h1-7,14H,(H3,17,18,19)
InChIKeyQSBNBQSVTQQWAB-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.99
Rot. Bonds4

About 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine

5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62501030) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62501030
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(OC(F)F)cc2)c1-c1cccs1
InChIInChI=1S/C14H11F2N3OS/c15-14(16)20-9-5-3-8(4-6-9)12-11(13(17)19-18-12)10-2-1-7-21-10/h1-7,14H,(H3,17,18,19)
InChIKeyQSBNBQSVTQQWAB-UHFFFAOYSA-N
XLogP3.99
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62501030) is 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(OC(F)F)cc2)c1-c1cccs1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is QSBNBQSVTQQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c15-14(16)20-9-5-3-8(4-6-9)12-11(13(17)19-18-12)10-2-1-7-21-10/h1-7,14H,(H3,17,18,19).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 307.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62501030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).