1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine

C11H15N3O — CID 19626755

IUPAC1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccc(CNc2cn(C)nc2C)o1
InChIInChI=1S/C11H15N3O/c1-8-4-5-10(15-8)6-12-11-7-14(3)13-9(11)2/h4-5,7,12H,6H2,1-3H3
InChIKeyZEWRHNTXNRLUIZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds3

About 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine

1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (PubChem CID 19626755) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
PubChem CID19626755
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccc(CNc2cn(C)nc2C)o1
InChIInChI=1S/C11H15N3O/c1-8-4-5-10(15-8)6-12-11-7-14(3)13-9(11)2/h4-5,7,12H,6H2,1-3H3
InChIKeyZEWRHNTXNRLUIZ-UHFFFAOYSA-N
XLogP2.24
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (CID 19626755) is 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is Cc1ccc(CNc2cn(C)nc2C)o1.
What is the InChIKey of 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The InChIKey is ZEWRHNTXNRLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-5-10(15-8)6-12-11-7-14(3)13-9(11)2/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine has a molecular weight of 205.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 19626755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).