4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine

C14H13N3O — CID 134967729

IUPAC4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2)c(-c2ccoc2)c1N
InChIInChI=1S/C14H13N3O/c1-17-14(15)12(11-7-8-18-9-11)13(16-17)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeySIJYHAHNSZIDEA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.93
Rot. Bonds2

About 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine

4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine (PubChem CID 134967729) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine
PubChem CID134967729
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2)c(-c2ccoc2)c1N
InChIInChI=1S/C14H13N3O/c1-17-14(15)12(11-7-8-18-9-11)13(16-17)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeySIJYHAHNSZIDEA-UHFFFAOYSA-N
XLogP2.93
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine?
The IUPAC name of 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine (CID 134967729) is 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine is Cn1nc(-c2ccccc2)c(-c2ccoc2)c1N.
What is the InChIKey of 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine?
The InChIKey is SIJYHAHNSZIDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-14(15)12(11-7-8-18-9-11)13(16-17)10-5-3-2-4-6-10/h2-9H,15H2,1H3.
What are the key properties of 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine?
4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 134967729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).