1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole

C11H16N4 — CID 58523535

IUPAC1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole
SMILESCn1ccnc1-c1ccn(C(C)(C)C)n1
InChIInChI=1S/C11H16N4/c1-11(2,3)15-7-5-9(13-15)10-12-6-8-14(10)4/h5-8H,1-4H3
InChIKeyAZUKHIPFGRBBBW-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.04
Rot. Bonds1

About 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole

1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole (PubChem CID 58523535) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole
PubChem CID58523535
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole
SMILESCn1ccnc1-c1ccn(C(C)(C)C)n1
InChIInChI=1S/C11H16N4/c1-11(2,3)15-7-5-9(13-15)10-12-6-8-14(10)4/h5-8H,1-4H3
InChIKeyAZUKHIPFGRBBBW-UHFFFAOYSA-N
XLogP2.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole?
The IUPAC name of 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole (CID 58523535) is 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole?
The canonical SMILES for 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole is Cn1ccnc1-c1ccn(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole?
The InChIKey is AZUKHIPFGRBBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-11(2,3)15-7-5-9(13-15)10-12-6-8-14(10)4/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole?
1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole has a molecular weight of 204.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-methylimidazol-2-yl)pyrazole is sourced from PubChem (CID 58523535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).