3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine

C12H15N3O — CID 122168879

IUPAC3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1ccco1
InChIInChI=1S/C12H15N3O/c1-15-12(7-11(14-15)9-4-5-9)13-8-10-3-2-6-16-10/h2-3,6-7,9,13H,4-5,8H2,1H3
InChIKeyQBGAETIUCPWQEX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds4

About 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine

3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine (PubChem CID 122168879) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine
PubChem CID122168879
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1ccco1
InChIInChI=1S/C12H15N3O/c1-15-12(7-11(14-15)9-4-5-9)13-8-10-3-2-6-16-10/h2-3,6-7,9,13H,4-5,8H2,1H3
InChIKeyQBGAETIUCPWQEX-UHFFFAOYSA-N
XLogP2.50
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine (CID 122168879) is 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine is Cn1nc(C2CC2)cc1NCc1ccco1.
What is the InChIKey of 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine?
The InChIKey is QBGAETIUCPWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-12(7-11(14-15)9-4-5-9)13-8-10-3-2-6-16-10/h2-3,6-7,9,13H,4-5,8H2,1H3.
What are the key properties of 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine?
3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 122168879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).