5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine

C13H19N5 — CID 62218217

IUPAC5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)C)nc(-c2cnn(C)c2)c1N
InChIInChI=1S/C13H19N5/c1-5-6-18-12(14)11(16-13(18)9(2)3)10-7-15-17(4)8-10/h5,7-9H,1,6,14H2,2-4H3
InChIKeyRIKOJAFPYMWCPW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine

5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine (PubChem CID 62218217) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine
PubChem CID62218217
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)C)nc(-c2cnn(C)c2)c1N
InChIInChI=1S/C13H19N5/c1-5-6-18-12(14)11(16-13(18)9(2)3)10-7-15-17(4)8-10/h5,7-9H,1,6,14H2,2-4H3
InChIKeyRIKOJAFPYMWCPW-UHFFFAOYSA-N
XLogP2.18
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine (CID 62218217) is 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)C)nc(-c2cnn(C)c2)c1N.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine?
The InChIKey is RIKOJAFPYMWCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-6-18-12(14)11(16-13(18)9(2)3)10-7-15-17(4)8-10/h5,7-9H,1,6,14H2,2-4H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine?
5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62218217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).