3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine

C11H9N5O — CID 43531912

IUPAC3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1ncccn1
InChIInChI=1S/C11H9N5O/c12-10-7-8(9-3-1-6-17-9)15-16(10)11-13-4-2-5-14-11/h1-7H,12H2
InChIKeySDDADCQZJTVYOW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.50
Rot. Bonds2

About 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine

3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine (PubChem CID 43531912) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine
PubChem CID43531912
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1ncccn1
InChIInChI=1S/C11H9N5O/c12-10-7-8(9-3-1-6-17-9)15-16(10)11-13-4-2-5-14-11/h1-7H,12H2
InChIKeySDDADCQZJTVYOW-UHFFFAOYSA-N
XLogP1.50
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 43542912
3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine
CID 79194735
1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 43542763
1-(4-fluoro-2-methylphenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 63860689
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135984528
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
CID 61271706
5-amino-3-(furan-2-yl)pyrazole-1-carboximidamide;hydrochloride
CID 19382747
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine
CID 71374072
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51589118
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine (CID 43531912) is 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine is Nc1cc(-c2ccco2)nn1-c1ncccn1.
What is the InChIKey of 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine?
The InChIKey is SDDADCQZJTVYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-10-7-8(9-3-1-6-17-9)15-16(10)11-13-4-2-5-14-11/h1-7H,12H2.
What are the key properties of 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine?
3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine has a molecular weight of 227.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-pyrimidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 43531912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).