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

C10H13N3O — CID 19626716

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccc(CNc2cnn(C)c2)o1
InChIInChI=1S/C10H13N3O/c1-8-3-4-10(14-8)6-11-9-5-12-13(2)7-9/h3-5,7,11H,6H2,1-2H3
InChIKeyOUTAJWHGMRGHBD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.93
Rot. Bonds3

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

1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (PubChem CID 19626716) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
PubChem CID19626716
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccc(CNc2cnn(C)c2)o1
InChIInChI=1S/C10H13N3O/c1-8-3-4-10(14-8)6-11-9-5-12-13(2)7-9/h3-5,7,11H,6H2,1-2H3
InChIKeyOUTAJWHGMRGHBD-UHFFFAOYSA-N
XLogP1.93
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (CID 19626716) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is Cc1ccc(CNc2cnn(C)c2)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The InChIKey is OUTAJWHGMRGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-3-4-10(14-8)6-11-9-5-12-13(2)7-9/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine has a molecular weight of 191.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 19626716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).