5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C12H10N4O — CID 80524633

IUPAC5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1ccncc1
InChIInChI=1S/C12H10N4O/c13-12-10(8-1-4-14-5-2-8)11(15-16-12)9-3-6-17-7-9/h1-7H,(H3,13,15,16)
InChIKeyQNKRCOMCEFMMNC-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.31
Rot. Bonds2

About 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80524633) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80524633
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1ccncc1
InChIInChI=1S/C12H10N4O/c13-12-10(8-1-4-14-5-2-8)11(15-16-12)9-3-6-17-7-9/h1-7H,(H3,13,15,16)
InChIKeyQNKRCOMCEFMMNC-UHFFFAOYSA-N
XLogP2.31
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993
5-(furan-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524531
5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104853091
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
5-(3-methylthiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524484
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524690
5-pyrazolo[1,5-a]pyrazin-3-yl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 103118925
5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 107955203
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485
4-(4-fluorophenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670630
5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80523543

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80524633) is 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccoc2)c1-c1ccncc1.
What is the InChIKey of 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is QNKRCOMCEFMMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-12-10(8-1-4-14-5-2-8)11(15-16-12)9-3-6-17-7-9/h1-7H,(H3,13,15,16).
What are the key properties of 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 226.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80524633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).